Geometry & MOs

Info

ID:	257339
PubChem CID:	103145366
Reduced:	NOC5H7 (3)
Stoich.:	ABC5D7 (3)
Weight, g/mol:	291.158292
ΔH_f, kcal/mol:	-62.88
Dipole, Da:	7.98
IP(EA), eV:	-9.43(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(aminomethyl)-N-(2,5-dimethyl-4-nitrophenyl)cyclopentane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1[N+](=O)[O-])C)NC(=O)C2CCCCC2N

DOS

IR

Vibrations