Geometry & MOs

Info

ID:	30396
PubChem CID:	841249
Reduced:	ClON3C14H16 (1)
Stoich.:	ABC3D14E16 (1)
Weight, g/mol:	320.02727
ΔH_f, kcal/mol:	-8.83
Dipole, Da:	1.68
IP(EA), eV:	-8.65(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(benzylideneamino)-4-bromo-2,5-dimethylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2=C(C(=NN2C)C)Cl)C

DOS

IR

Vibrations