Geometry & MOs

Info

ID:	324307
PubChem CID:	126677407
Reduced:	N2O7C32H42 (1)
Stoich.:	A2B7C32D42 (1)
Weight, g/mol:	221.141579
ΔH_f, kcal/mol:	-305.39
Dipole, Da:	3.97
IP(EA), eV:	-8.84(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R,4S)-4-(3-methoxyphenyl)piperidin-3-yl]methanol

Drug info:

PubChemData

Smile

C[C@@H]1[C@H]([C@@H](CCN1C(=O)OC(C)(C)C)C2=CC=C(C=C2)OC)COC3=CC4=C(CN(C4=O)C(=O)OC(C)(C)C)C=C3

DOS

IR

Vibrations