Geometry & MOs

Info

ID:	403349
PubChem CID:	135059830
Reduced:	ClN2O3H17C20 (1)
Stoich.:	AB2C3D17E20 (1)
Weight, g/mol:	335.05509
ΔH_f, kcal/mol:	23.1
Dipole, Da:	6.77
IP(EA), eV:	-9.49(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-4-methylsulfanyl-2-thiophen-2-ylpyrido[3,2-b]indole-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(C/C(=C\C2=CC=C(C=C2)Cl)/C(=O)C)C#N)[N+](=O)[O-]

DOS

IR

Vibrations