Geometry & MOs

Info

ID:	19359
PubChem CID:	562606
Reduced:	ON2H8C9 (2)
Stoich.:	AB2C8D9 (2)
Weight, g/mol:	320.127326
ΔH_f, kcal/mol:	39.28
Dipole, Da:	6.5
IP(EA), eV:	-8.65(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-[4-[(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)amino]phenyl]formamide

Drug info:

PubChemData

Smile

CC1=NN(C(=O)C1=NC2=CC=C(C=C2)N(C)C=O)C3=CC=CC=C3

DOS

IR

Vibrations