Geometry & MOs

Info

ID:	30357
PubChem CID:	841188
Reduced:	ClON3C14H16 (1)
Stoich.:	ABC3D14E16 (1)
Weight, g/mol:	346.04292
ΔH_f, kcal/mol:	-2.95
Dipole, Da:	5.38
IP(EA), eV:	-9.18(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2-methyl-N-[[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CCN1C=C(C(=N1)C)CNC(=O)C2=CC(=CC=C2)Cl

DOS

IR

Vibrations