Geometry & MOs

Info

ID:	258523
PubChem CID:	103154708
Reduced:	N3O4C12H17 (1)
Stoich.:	A3B4C12D17 (1)
Weight, g/mol:	264.183778
ΔH_f, kcal/mol:	-81.86
Dipole, Da:	9.08
IP(EA), eV:	-9.56(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-3-methoxy-N-(1-phenylbutyl)butanamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CC(CN)OC

DOS

IR

Vibrations