Geometry & MOs

Info

ID:	146386
PubChem CID:	53679747
Reduced:	BrNOH8C9 (1)
Stoich.:	ABCD8E9 (1)
Weight, g/mol:	432.12407
ΔH_f, kcal/mol:	-5.18
Dipole, Da:	0.97
IP(EA), eV:	-9.35(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 6-[2-(4-chlorophenyl)ethynyl]-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CCBr)N=C=O

DOS

IR

Vibrations