Geometry & MOs

Info

ID:	51252
PubChem CID:	12013894
Reduced:	NSO3H15C16 (1)
Stoich.:	ABC3D15E16 (1)
Weight, g/mol:	254.13068
ΔH_f, kcal/mol:	-65.84
Dipole, Da:	3.21
IP(EA), eV:	-8.7(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4R)-4-hydroxy-3-methyl-1,4-diphenylbutan-2-one

Drug info:

PubChemData

Smile

CSC1=CC=C(C=C1)CC(=O)C2=CC=C3N2CCOC3=O

DOS

IR

Vibrations