Geometry & MOs

Info

ID:	64952
PubChem CID:	29204244
Reduced:	SO2N3C17H19 (1)
Stoich.:	AB2C3D17E19 (1)
Weight, g/mol:	398.174276
ΔH_f, kcal/mol:	-28.57
Dipole, Da:	4.14
IP(EA), eV:	-8.85(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-3-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CN(C)C(=O)CSC1=CC=CC=C1C(=O)NCC2=CN=CC=C2

DOS

IR

Vibrations