Geometry & MOs

Info

ID:

187338

PubChem CID:

77560579

Reduced:

O4N5C19H19 (1)

Stoich.:

A4B5C19D19 (1)

Weight, g/mol:

614.320331

ΔHf, kcal/mol:

-76.22

Dipole, Da:

6.53

IP(EA), eV:

 -9.14(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[2-(4-hydroxyoxan-4-yl)ethoxy]-4-(4-methoxyphenyl)-5-[[4-(3-methoxypropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]methoxy]piperidine-1-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)OCC(CC(=O)O)NC(=O)C2=CC=C(C=C2)N=C(N)N)C#N

DOS

IR

Vibrations