Geometry & MOs

Info

ID:	73236
PubChem CID:	48417251
Reduced:	OSN4H12C13 (1)
Stoich.:	ABC4D12E13 (1)
Weight, g/mol:	279.11201
ΔH_f, kcal/mol:	53.2
Dipole, Da:	5.02
IP(EA), eV:	-9.07(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-(2,3-dimethyl-1H-indole-5-carbonyl)pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC=CC=C1SCC(=O)N2C(=C(C=N2)C#N)N

DOS

IR

Vibrations