Geometry & MOs

Info

ID:	252860
PubChem CID:	103114663
Reduced:	IN2O2C16H17 (1)
Stoich.:	AB2C2D16E17 (1)
Weight, g/mol:	272.152478
ΔH_f, kcal/mol:	45.3
Dipole, Da:	4.92
IP(EA), eV:	-9.44(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(2-methyl-3-nitrophenyl)methyl]methanamine

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1[N+](=O)[O-])CNC(C)C2=CC=C(C=C2)I

DOS

IR

Vibrations