Geometry & MOs

Info

ID:	196260
PubChem CID:	78803094
Reduced:	ClO2N6H17C20 (1)
Stoich.:	AB2C6D17E20 (1)
Weight, g/mol:	370.083268
ΔH_f, kcal/mol:	40.22
Dipole, Da:	2.72
IP(EA), eV:	-9.18(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(3-chlorobenzoyl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)N2C3=C(C=N2)C(=NC=N3)OCC(=O)NC4=C(N=CC=C4)Cl)C

DOS

IR

Vibrations