Geometry & MOs

Info

ID:	257285
PubChem CID:	103144923
Reduced:	O2N3C16H25 (1)
Stoich.:	A2B3C16D25 (1)
Weight, g/mol:	286.168128
ΔH_f, kcal/mol:	-24.12
Dipole, Da:	9.68
IP(EA), eV:	-8.79(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2,5-dimethyl-4-nitroaniline

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1[N+](=O)[O-])C)NC(C)C2CCN(CC2)C

DOS

IR

Vibrations