Geometry & MOs

Info

ID:	257288
PubChem CID:	103144940
Reduced:	ON2C7H8 (2)
Stoich.:	AB2C7D8 (2)
Weight, g/mol:	276.183778
ΔH_f, kcal/mol:	37.04
Dipole, Da:	8.14
IP(EA), eV:	-8.97(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-dimethyl-4-nitrophenyl)-4-methylcycloheptan-1-amine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1[N+](=O)[O-])C)NC(C)C2=NC=CN=C2

DOS

IR

Vibrations