Geometry & MOs

Info

ID:	132751
PubChem CID:	51412353
Reduced:	ON4H17C18 (1)
Stoich.:	AB4C17D18 (1)
Weight, g/mol:	384.08373
ΔH_f, kcal/mol:	95.31
Dipole, Da:	2.52
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.969532
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-N-[(Z)-[(Z)-2-methyl-3-(4-propan-2-ylphenyl)prop-2-enylidene]amino]benzamide

Drug info:

PubChemData

Smile

CC1=NN(C(=C1/C=N\N(C)C2=CC=CC=C2)[O-])C3=CC=CC=C3

DOS

IR

Vibrations