Geometry & MOs

Info

ID:	182337
PubChem CID:	76876133
Reduced:	NOC8H9 (2)
Stoich.:	ABC8D9 (2)
Weight, g/mol:	224.060407
ΔH_f, kcal/mol:	-41.42
Dipole, Da:	4.08
IP(EA), eV:	-9.28(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(3-chloroprop-2-enoxy)-4-methylphenyl]ethanone

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(C)NC(=O)C2C=CC(=O)N=C2)C

DOS

IR

Vibrations