Geometry & MOs

Info

ID:	188918
PubChem CID:	77786268
Reduced:	ON2C8H8 (3)
Stoich.:	AB2C8D8 (3)
Weight, g/mol:	427.08954
ΔH_f, kcal/mol:	12.93
Dipole, Da:	5.03
IP(EA), eV:	-8.45(-2.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-9-[1-(4-nitrophenyl)propan-2-yl]-1,2,3,4-tetrahydrocarbazol-2-amine

Drug info:

PubChemData

Smile

CCC1=C(C2=CC=CC=C2N1CCCN)C3C(=O)NC4=CC5=NC(=NC5=CC4=N3)OC(=O)C

DOS

IR

Vibrations