Geometry & MOs

Info

ID:	148977
PubChem CID:	53788648
Reduced:	SN2O3C8H10 (1)
Stoich.:	AB2C3D8E10 (1)
Weight, g/mol:	429.230394
ΔH_f, kcal/mol:	-99.39
Dipole, Da:	2.46
IP(EA), eV:	-9.18(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[hydroxy(diphenyl)methyl]piperidin-2-yl]-1-(2-hydroxyphenyl)butan-1-one

Drug info:

PubChemData

Smile

C1[C@H]2N(C1=O)C=C(CS2)COC(=O)N

DOS

IR

Vibrations