Geometry & MOs

Info

ID:	24863
PubChem CID:	613999
Reduced:	N5H9C12 (1)
Stoich.:	A5B9C12 (1)
Weight, g/mol:	223.085795
ΔH_f, kcal/mol:	111.46
Dipole, Da:	4.6
IP(EA), eV:	-8.7(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-5-(1H-indol-3-yl)-1H-pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CN2)C3=C(C(=NN3)N)C#N

DOS

IR

Vibrations