Geometry & MOs

Info

ID:	401550
PubChem CID:	135051609
Reduced:	ClNOC13H16 (1)
Stoich.:	ABCD13E16 (1)
Weight, g/mol:	213.055656
ΔH_f, kcal/mol:	-34.02
Dipole, Da:	3.59
IP(EA), eV:	-8.98(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-amino-3-methoxy-2-methylphenyl)-2-chloroethanone

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)N=C2CCCCC2)Cl

DOS

IR

Vibrations