Geometry & MOs

Info

ID:	132236
PubChem CID:	51327268
Reduced:	N2O3C16H18 (1)
Stoich.:	A2B3C16D18 (1)
Weight, g/mol:	365.199094
ΔH_f, kcal/mol:	-68.46
Dipole, Da:	5.51
IP(EA), eV:	-8.76(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-dimethylphenyl)-4-[4-(4-hydroxyphenyl)piperidin-1-yl]butane-1,4-dione

Drug info:

PubChemData

Smile

CC1=C(N=CC=C1)NC(=O)C(C)OC2=CC=C(C=C2)OC

DOS

IR

Vibrations