Geometry & MOs

Info

ID:	62166
PubChem CID:	26717830
Reduced:	N3O4H21C23 (1)
Stoich.:	A3B4C21D23 (1)
Weight, g/mol:	456.154603
ΔH_f, kcal/mol:	-51.43
Dipole, Da:	4.76
IP(EA), eV:	-8.56(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[4-(methylamino)-3-nitrobenzoyl]-1,3-diphenylpyrazole-4-carbohydrazide

Drug info:

PubChemData

Smile

CC1=C(NC2=C1C=C(C=C2)C(=O)NNC(=O)C3=CC=C(O3)COC4=CC=CC=C4)C

DOS

IR

Vibrations