Geometry & MOs

Info

ID:	259041
PubChem CID:	103158072
Reduced:	NOC17H27 (1)
Stoich.:	ABC17D27 (1)
Weight, g/mol:	223.120843
ΔH_f, kcal/mol:	-62.73
Dipole, Da:	1.77
IP(EA), eV:	-9.04(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 4-amino-3-methoxybutanoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[C@@H](C)NCC(CC2CCCC2)O

DOS

IR

Vibrations