Geometry & MOs

Info

ID:	324314
PubChem CID:	126677416
Reduced:	N2O3C26H30 (1)
Stoich.:	A2B3C26D30 (1)
Weight, g/mol:	318.173213
ΔH_f, kcal/mol:	-73.95
Dipole, Da:	4.7
IP(EA), eV:	-8.87(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(E)-2-[(3S,4R)-4-(4-methoxyphenyl)piperidin-3-yl]ethenyl]benzonitrile

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CC[C@H]([C@@H](C1)/C=C/C2=CC(=CC=C2)C#N)C3=CC=C(C=C3)OC

DOS

IR

Vibrations