Geometry & MOs

Info

ID:	70737
PubChem CID:	48413798
Reduced:	O3N5C17H19 (1)
Stoich.:	A3B5C17D19 (1)
Weight, g/mol:	417.18009
ΔH_f, kcal/mol:	-12.19
Dipole, Da:	2.56
IP(EA), eV:	-9.02(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,4-dimethoxyphenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-phenylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)CCC2=NC(=NO2)C3=CC=C(C=C3)OC

DOS

IR

Vibrations