Geometry & MOs

Info

ID:	64925
PubChem CID:	29204207
Reduced:	SN4O4C22H28 (1)
Stoich.:	AB4C4D22E28 (1)
Weight, g/mol:	382.179361
ΔH_f, kcal/mol:	-107.79
Dipole, Da:	10.91
IP(EA), eV:	-9.13(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,4-dimethylphenyl)-1-phenyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)C(=O)NCC4=CN=CC=C4

DOS

IR

Vibrations