Geometry & MOs

Info

ID:	29957
PubChem CID:	838516
Reduced:	O2N3C10H11 (1)
Stoich.:	A2B3C10D11 (1)
Weight, g/mol:	317.118257
ΔH_f, kcal/mol:	24.56
Dipole, Da:	7.05
IP(EA), eV:	-9.8(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chloro-2-methylphenyl)-4-(4-methoxyphenyl)butanamide

Drug info:

PubChemData

Smile

CCCC1=NC2=C(N1)C=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations