Geometry & MOs

Info

ID:	73196
PubChem CID:	48417184
Reduced:	ON4H12C13 (1)
Stoich.:	AB4C12D13 (1)
Weight, g/mol:	260.046489
ΔH_f, kcal/mol:	45.53
Dipole, Da:	5.69
IP(EA), eV:	-9.3(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-[2-(4-chlorophenyl)acetyl]pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)C(=O)N2C(=C(C=N2)C#N)N)C

DOS

IR

Vibrations