Geometry & MOs

Info

ID:	260236
PubChem CID:	103185681
Reduced:	N3O3C14H21 (1)
Stoich.:	A3B3C14D21 (1)
Weight, g/mol:	291.194677
ΔH_f, kcal/mol:	-41.79
Dipole, Da:	4.23
IP(EA), eV:	-9.38(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3,5-dimethyl-4-nitropyridin-2-yl)methyl]-3,4-dimethylcyclohexan-1-amine

Drug info:

PubChemData

Smile

CC1=CN=C(C(=C1[N+](=O)[O-])C)CNCC2CCOCC2

DOS

IR

Vibrations