Geometry & MOs

Info

ID:	264148
PubChem CID:	103433920
Reduced:	NO2C16H27 (1)
Stoich.:	AB2C16D27 (1)
Weight, g/mol:	234.16198
ΔH_f, kcal/mol:	-87.67
Dipole, Da:	3.36
IP(EA), eV:	-8.76(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methoxy-3,4-dimethylphenyl)hexan-3-one

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)C(C(C(C)C)OC)NC)OC)C

DOS

IR

Vibrations