Geometry & MOs

Info

ID:	50921
PubChem CID:	12013515
Reduced:	NO2C18H21 (1)
Stoich.:	AB2C18D21 (1)
Weight, g/mol:	208.109944
ΔH_f, kcal/mol:	-42.14
Dipole, Da:	3.89
IP(EA), eV:	-7.99(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hydroxy-4-(4-methoxyphenyl)-3-methylbutan-2-one

Drug info:

PubChemData

Smile

CC(C(C1=CC=CC=C1)NC2=CC=C(C=C2)OC)C(=O)C

DOS

IR

Vibrations