Geometry & MOs

Info

ID:	403444
PubChem CID:	135060323
Reduced:	NC6H6 (2)
Stoich.:	AB6C6 (2)
Weight, g/mol:	623.99094
ΔH_f, kcal/mol:	52.4
Dipole, Da:	1.45
IP(EA), eV:	-7.97(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylpropyl 4-(4-bromophenyl)-3-iodo-2-phenylpyrido[2,3-b]indole-9-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C2C(N1)NC3=CC=CC=C23

DOS

IR

Vibrations