Geometry & MOs

Info

ID:	324108
PubChem CID:	126676933
Reduced:	NO2C9H13 (1)
Stoich.:	AB2C9D13 (1)
Weight, g/mol:	416.209993
ΔH_f, kcal/mol:	-56.66
Dipole, Da:	2.35
IP(EA), eV:	-8.98(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(3S,4R)-4-(4-phenylmethoxyphenyl)piperidin-3-yl]methoxy]benzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(C)O)NO

DOS

IR

Vibrations