Geometry & MOs

Info

ID:	171766
PubChem CID:	75423308
Reduced:	N2O4C13H14 (1)
Stoich.:	A2B4C13D14 (1)
Weight, g/mol:	291.158292
ΔH_f, kcal/mol:	-66.52
Dipole, Da:	8.72
IP(EA), eV:	-9.8(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butyl-2-(5-nitro-1,3-dihydroisoindol-2-yl)propanamide

Drug info:

PubChemData

Smile

CC1CC(C(=O)O1)N2CC3=C(C2)C=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations