Geometry & MOs

Info

ID:

186880

PubChem CID:

77500425

Reduced:

N2O8C35H42 (1)

Stoich.:

A2B8C35D42 (1)

Weight, g/mol:

631.325751

ΔHf, kcal/mol:

-266.93

Dipole, Da:

3.85

IP(EA), eV:

 -8.63(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl 4-(4-methoxyphenyl)-5-[[4-(3-methoxypropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]methoxy]-2-methyl-2-(methylcarbamoyl)piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1CC(C(CN1C2=CC=C(C=C2)OC)OCC3=CC4=C(C=C3)OCC(=O)N4CCCOC)C5=CC=C(C=C5)OC

DOS

IR

Vibrations