Geometry & MOs

Info

ID:	73191
PubChem CID:	48417173
Reduced:	O2Cl3N4H7C12 (1)
Stoich.:	A2B3C4D7E12 (1)
Weight, g/mol:	387.136511
ΔH_f, kcal/mol:	5.96
Dipole, Da:	1.77
IP(EA), eV:	-9.38(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-[3-(4-piperidin-1-ylsulfonylphenyl)propanoyl]pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

C1=C(C(=CC(=C1Cl)Cl)Cl)OCC(=O)N2C(=C(C=N2)C#N)N

DOS

IR

Vibrations