Geometry & MOs

Info

ID:	403522
PubChem CID:	135060646
Reduced:	BrIN2O4C29H32 (1)
Stoich.:	ABC2D4E29F32 (1)
Weight, g/mol:	398.04186
ΔH_f, kcal/mol:	-115.41
Dipole, Da:	3.22
IP(EA), eV:	-8.28(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromophenyl)-4-phenyl-5H-pyrido[3,2-b]indole

Drug info:

PubChemData

Smile

CCCCCC1=C(C(C2=C(N1C(=O)OCC)N(C3=C2C=C(C=C3)C)C(=O)OCC)C4=CC=CC=C4Br)I

DOS

IR

Vibrations