Geometry & MOs

Info

ID:	156162
PubChem CID:	56369369
Reduced:	N2O3C26H26 (1)
Stoich.:	A2B3C26D26 (1)
Weight, g/mol:	410.174276
ΔH_f, kcal/mol:	-87.58
Dipole, Da:	3.9
IP(EA), eV:	-8.83(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-N-[2-benzyl-5-(2-methylphenyl)pyrazol-3-yl]benzene-1,3-dicarboxamide

Drug info:

PubChemData

Smile

C1CC(N(C1)C(=O)C2=C(C3=CC=CC=C3C=C2)O)C(=O)NCC4=CC5=C(CCC5)C=C4

DOS

IR

Vibrations