Geometry & MOs

Info

ID:	373330
PubChem CID:	131313372
Reduced:	N5H9C11 (1)
Stoich.:	A5B9C11 (1)
Weight, g/mol:	205.030983
ΔH_f, kcal/mol:	113.38
Dipole, Da:	3.11
IP(EA), eV:	-9.47(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hydroxy-2-(thiophen-2-ylmethyl)pyrazole-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(N=CC=C1)NC2=NC=CN=C2C#N

DOS

IR

Vibrations