Geometry & MOs

Info

ID:	157806
PubChem CID:	56437363
Reduced:	N2O5C22H26 (1)
Stoich.:	A2B5C22D26 (1)
Weight, g/mol:	351.160121
ΔH_f, kcal/mol:	-145.45
Dipole, Da:	10.08
IP(EA), eV:	-9.5(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[[2-(2-chlorophenyl)cyclopropanecarbonyl]-methylamino]butanoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)CCCN(C)C(=O)C1=CC=C(O1)COC2=CC=CC=C2C#N

DOS

IR

Vibrations