Geometry & MOs

Info

ID:

128362

PubChem CID:

51041187

Reduced:

NOSiH41C46 (2)

Stoich.:

ABCD41E46 (2)

Weight, g/mol:

276.079619

ΔHf, kcal/mol:

169.79

Dipole, Da:

2.25

IP(EA), eV:

 -8.48(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-amino-N-[1-(2-chlorophenyl)ethyl]butanamide;hydrochloride

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=C(C=C3)C4=C(C5=CC=CC=C5C=C4)C6=C(C(=CC7=CC=CC=C76)C=N[C@H]8CCCC[C@@H]8N=CC9=CC1=CC=CC=C1C(=C9O)C1=C(C=CC2=CC=CC=C21)C1=CC=C(C=C1)[Si](C1=CC=CC=C1)(C1=CC=CC=C1)C(C)(C)C)O

DOS

IR

Vibrations