Geometry & MOs

Info

ID:

187403

PubChem CID:

77570541

Reduced:

N2O4C27H34 (1)

Stoich.:

A2B4C27D34 (1)

Weight, g/mol:

601.250968

ΔHf, kcal/mol:

-164.9

Dipole, Da:

2.09

IP(EA), eV:

 -8.68(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 -1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C1CC(C[N+]1(C(=O)[O-])C(C)(C)C)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

DOS

IR

Vibrations