Geometry & MOs

Info

ID:	73392
PubChem CID:	48417597
Reduced:	O2N5H17C18 (1)
Stoich.:	A2B5C17D18 (1)
Weight, g/mol:	279.11201
ΔH_f, kcal/mol:	6.76
Dipole, Da:	0.99
IP(EA), eV:	-8.62(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC2=C(C1)C=C(C=C2)N3CC(CC3=O)C(=O)N4C(=C(C=N4)C#N)N

DOS

IR

Vibrations