Geometry & MOs

Info

ID:	279342
PubChem CID:	103843195
Reduced:	N2O4C15H22 (1)
Stoich.:	A2B4C15D22 (1)
Weight, g/mol:	274.168128
ΔH_f, kcal/mol:	-102.55
Dipole, Da:	5.02
IP(EA), eV:	-9.95(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-cyanophenyl)-N-[2-ethyl-2-(hydroxymethyl)butyl]acetamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations