Geometry & MOs

Info

ID:	73187
PubChem CID:	48417169
Reduced:	ON4C13H16 (1)
Stoich.:	AB4C13D16 (1)
Weight, g/mol:	373.120861
ΔH_f, kcal/mol:	21.95
Dipole, Da:	4.97
IP(EA), eV:	-9.35(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

C1CC2CC1CC2CC(=O)N3C(=C(C=N3)C#N)N

DOS

IR

Vibrations