Geometry & MOs

Info

ID:	226801
PubChem CID:	87558398
Reduced:	O3C8H14 (1)
Stoich.:	A3B8C14 (1)
Weight, g/mol:	453.102624
ΔH_f, kcal/mol:	-128.77
Dipole, Da:	4.61
IP(EA), eV:	-10.6(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(benzenesulfonyl)-N-[5-(4-chlorophenyl)-4-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-N-methylmethanimidamide

Drug info:

PubChemData

Smile

CCC1(C(O1)(CC)C(=O)O)C

DOS

IR

Vibrations