Geometry & MOs

Info

ID:	30506
PubChem CID:	841428
Reduced:	ClN2O3C18H19 (1)
Stoich.:	AB2C3D18E19 (1)
Weight, g/mol:	321.062867
ΔH_f, kcal/mol:	-58.38
Dipole, Da:	5.57
IP(EA), eV:	-8.34(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2,5-dimethyl-N-[(2-nitrophenyl)methylideneamino]pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)OC1=CC=C(C=C1)C=NNC(=O)C2=C(C=CC(=C2)Cl)OC

DOS

IR

Vibrations