Geometry & MOs

Info

ID:	146708
PubChem CID:	53732831
Reduced:	NO3C24H31 (1)
Stoich.:	AB3C24D31 (1)
Weight, g/mol:	453.287909
ΔH_f, kcal/mol:	-111.59
Dipole, Da:	8.11
IP(EA), eV:	-8.14(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 8-[2-[[4-(4-methoxyphenyl)phenyl]methoxy]piperidin-1-yl]octanoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1OC(C)(C)C)OC(C)(C)C)C=CC(=O)C2=CC=C(C=C2)N

DOS

IR

Vibrations