Geometry & MOs

Info

ID:	252273
PubChem CID:	103110210
Reduced:	N3O3C14H17 (1)
Stoich.:	A3B3C14D17 (1)
Weight, g/mol:	287.126991
ΔH_f, kcal/mol:	-21.63
Dipole, Da:	3.92
IP(EA), eV:	-10.25(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyano-N-[(2-methyl-3-nitrophenyl)methyl]cyclopentane-1-carboxamide

Drug info:

PubChemData

Smile

CCCC(C#N)C(=O)NCC1=C(C(=CC=C1)[N+](=O)[O-])C

DOS

IR

Vibrations