Geometry & MOs

Info

ID:	206799
PubChem CID:	80304076
Reduced:	N2O4C15H20 (1)
Stoich.:	A2B4C15D20 (1)
Weight, g/mol:	292.178693
ΔH_f, kcal/mol:	-77.48
Dipole, Da:	3.57
IP(EA), eV:	-10.01(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(2-ethyl-4-hydroxybutyl)amino]-3-oxopropyl]benzamide

Drug info:

PubChemData

Smile

CCC(CCO)CNC(=O)/C=C/C1=CC(=CC=C1)[N+](=O)[O-]

DOS

IR

Vibrations