Geometry & MOs

Info

ID:	22355
PubChem CID:	596910
Reduced:	N3O4C21H33 (1)
Stoich.:	A3B4C21D33 (1)
Weight, g/mol:	391.247107
ΔH_f, kcal/mol:	-134.46
Dipole, Da:	4.59
IP(EA), eV:	-9.81(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-acetamido-N-dodecyl-3-nitrobenzamide

Drug info:

PubChemData

Smile

CCCCCCCCCCCCNC(=O)C1=CC(=C(C=C1)NC(=O)C)[N+](=O)[O-]

DOS

IR

Vibrations