Geometry & MOs

Info

ID:	435580
PubChem CID:	135191859
Reduced:	NOC9H17 (1)
Stoich.:	ABC9D17 (1)
Weight, g/mol:	214.039672
ΔH_f, kcal/mol:	-4.13
Dipole, Da:	2.56
IP(EA), eV:	-8.98(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chloro-4-hydroxy-6-methoxy-2-methylphenyl)ethanone

Drug info:

PubChemData

Smile

CCCC/C=C(\C)/C(C)N=O

DOS

IR

Vibrations