Geometry & MOs

Info

ID:	144142
PubChem CID:	53319999
Reduced:	NPO9C26H26 (1)
Stoich.:	ABC9D26E26 (1)
Weight, g/mol:	335.224915
ΔH_f, kcal/mol:	-363.38
Dipole, Da:	6.2
IP(EA), eV:	-9.75(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3R,4R)-3,4-dimethyl-1-[(2-phenylcyclopropyl)methyl]piperidin-4-yl]phenol

Drug info:

PubChemData

Smile

C[C@@H](NC(=O)OCC1=CC=CC=C1)P(=O)(OC2=CC=C(C=C2)C(=O)OC)OC3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations