Geometry & MOs

Info

ID:	299407
PubChem CID:	117682837
Reduced:	ClNO2H16C17 (1)
Stoich.:	ABC2D16E17 (1)
Weight, g/mol:	197.095297
ΔH_f, kcal/mol:	-61.08
Dipole, Da:	7.17
IP(EA), eV:	-9.39(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,8-dimethyl-5H-pyrimido[5,4-b]indole

Drug info:

PubChemData

Smile

CC1=C(NC2=C1C(=O)CC(C2)C3=CC=CC=C3Cl)C(=O)C

DOS

IR

Vibrations