Geometry & MOs

Info

ID:	260208
PubChem CID:	103184752
Reduced:	O2N3C12H19 (1)
Stoich.:	A2B3C12D19 (1)
Weight, g/mol:	287.163377
ΔH_f, kcal/mol:	-12.15
Dipole, Da:	3.31
IP(EA), eV:	-9.59(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3,5-dimethyl-4-nitropyridin-2-yl)methyl]-3-ethylcyclopentane-1-carbonitrile

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations