Geometry & MOs

Info

ID:	158914
PubChem CID:	57244196
Reduced:	FO2C23H33 (1)
Stoich.:	AB2C23D33 (1)
Weight, g/mol:	438.288243
ΔH_f, kcal/mol:	-157.91
Dipole, Da:	8.62
IP(EA), eV:	-9.77(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-hydroxyphenyl)-N-[(2S)-1-[(3R,4R)-4-(3-hydroxyphenyl)-2,3-dimethylpiperidin-1-yl]-3-methylbutan-2-yl]propanamide

Drug info:

PubChemData

Smile

CCC1[C@@H]2[C@@H](CC[C@]3([C@H]2CC(C3=O)F)C)[C@]4(C(CC(=O)C=C4C1C)C)C

DOS

IR

Vibrations