Geometry & MOs

Info

ID:	305033
PubChem CID:	124766447
Reduced:	BrN2O6C33H33 (1)
Stoich.:	AB2C6D33E33 (1)
Weight, g/mol:	309.209264
ΔH_f, kcal/mol:	-201.27
Dipole, Da:	2.02
IP(EA), eV:	-9.2(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R,4S,6S)-4-methyl-2,6-diphenyl-3-propylpiperidin-4-ol

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2([C@H]3[C@@H](C1([C@@H]4[C@H]2C(=O)N(C4=O)C5=C(C=C(C=C5)C)C)C)C(=O)N(C3=O)C6=C(C=C(C=C6)C)C)Br)C

DOS

IR

Vibrations