Geometry & MOs

Info

ID:	65182
PubChem CID:	29204580
Reduced:	ClO2N4C21H21 (1)
Stoich.:	AB2C4D21E21 (1)
Weight, g/mol:	368.080681
ΔH_f, kcal/mol:	-8.8
Dipole, Da:	4.3
IP(EA), eV:	-9.4(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-butyl-5-chloro-N'-(4-chlorobenzoyl)-3-methylpyrazole-4-carbohydrazide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)C(=O)NNC(=O)C3=CC=C(C=C3)Cl)C

DOS

IR

Vibrations