Geometry & MOs

Info

ID:	73071
PubChem CID:	48416937
Reduced:	O2N5C15H15 (1)
Stoich.:	A2B5C15D15 (1)
Weight, g/mol:	402.099587
ΔH_f, kcal/mol:	3.54
Dipole, Da:	6.31
IP(EA), eV:	-9.43(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-[2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]acetyl]pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)NCCC(=O)N2C(=C(C=N2)C#N)N

DOS

IR

Vibrations