Geometry & MOs

Info

ID:	305545
PubChem CID:	124959312
Reduced:	N2O4C27H30 (1)
Stoich.:	A2B4C27D30 (1)
Weight, g/mol:	446.220557
ΔH_f, kcal/mol:	-106.22
Dipole, Da:	3.27
IP(EA), eV:	-8.59(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,4-dimethoxyphenyl)-[(3R)-3-[4-(4-methoxyphenyl)-6-methylpyridin-2-yl]piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)[C@H]2CCCN(C2)C(=O)C3=C(C=C(C=C3)OC)OC)C4=CC=C(C=C4)OC

DOS

IR

Vibrations