Geometry & MOs

Info

ID:	405678
PubChem CID:	135074992
Reduced:	NO3H8C9 (2)
Stoich.:	AB3C8D9 (2)
Weight, g/mol:	345.076786
ΔH_f, kcal/mol:	-108.59
Dipole, Da:	4.35
IP(EA), eV:	-9.2(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-3-[2-[(4-chlorobenzoyl)amino]phenyl]prop-2-enyl] methyl carbonate

Drug info:

PubChemData

Smile

COC(=O)OC/C=C/C1=CC=CC=C1NC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations