Geometry & MOs

Info

ID:	73393
PubChem CID:	48417603
Reduced:	ON5H13C15 (1)
Stoich.:	AB5C13D15 (1)
Weight, g/mol:	293.12766
ΔH_f, kcal/mol:	61.21
Dipole, Da:	6.95
IP(EA), eV:	-8.62(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-[2-(2,5-dimethyl-1H-indol-3-yl)acetyl]pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(C2=CC=CC=C2N1)CC(=O)N3C(=C(C=N3)C#N)N

DOS

IR

Vibrations