Geometry & MOs

Info

ID:	70965
PubChem CID:	48414110
Reduced:	O2N5C23H23 (1)
Stoich.:	A2B5C23D23 (1)
Weight, g/mol:	417.18009
ΔH_f, kcal/mol:	34.6
Dipole, Da:	4.97
IP(EA), eV:	-8.59(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,4-dimethoxyphenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-phenylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C=C(C(=N2)C3=CC(=CC=C3)OC)C(=O)NCC4=C(NN=C4)C

DOS

IR

Vibrations