Geometry & MOs

Info

ID:	318782
PubChem CID:	126653229
Reduced:	NO2C30H37 (1)
Stoich.:	AB2C30D37 (1)
Weight, g/mol:	473.256609
ΔH_f, kcal/mol:	-47.42
Dipole, Da:	1.6
IP(EA), eV:	-8.98(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[(1S)-1-hydroxy-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butyl]benzoate

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)[C@H](CN2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)O

DOS

IR

Vibrations