Geometry & MOs

Info

ID:	322514
PubChem CID:	126670324
Reduced:	NOC10H11 (2)
Stoich.:	ABC10D11 (2)
Weight, g/mol:	290.178299
ΔH_f, kcal/mol:	43.81
Dipole, Da:	6.69
IP(EA), eV:	-8.27(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(8,11-dimethyl-8-azatricyclo[7.4.0.03,6]trideca-1(9),6,10,12-tetraen-7-yl)aniline

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC)CC\2CC/C2=C\C3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations