Geometry & MOs

Info

ID:	318779
PubChem CID:	126653225
Reduced:	NO2C33H43 (1)
Stoich.:	AB2C33D43 (1)
Weight, g/mol:	415.251129
ΔH_f, kcal/mol:	-60.94
Dipole, Da:	3.15
IP(EA), eV:	-8.61(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-1-phenylbutan-1-ol

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=CC(=C1)[C@@H](CCCCN2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)O

DOS

IR

Vibrations