Geometry & MOs

Info

ID:	324317
PubChem CID:	126677421
Reduced:	O2N3C21H25 (1)
Stoich.:	A2B3C21D25 (1)
Weight, g/mol:	370.135114
ΔH_f, kcal/mol:	-33.54
Dipole, Da:	5.12
IP(EA), eV:	-8.35(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)[C@@H]2CCNC[C@H]2CNC3=CC4=C(CNC4=O)C=C3

DOS

IR

Vibrations