Geometry & MOs

Info

ID:	403260
PubChem CID:	135059429
Reduced:	NO3H17C18 (1)
Stoich.:	AB3C17D18 (1)
Weight, g/mol:	337.99022
ΔH_f, kcal/mol:	-90.87
Dipole, Da:	1.72
IP(EA), eV:	-9.15(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(6E)-2-bromo-6-hydroxyiminocyclohexen-1-yl]-(4-nitrophenyl)methanone

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C2=NC3=C(C=C2)C(=O)CCC3)OC(=O)C

DOS

IR

Vibrations