Geometry & MOs

Info

ID:

194031

PubChem CID:

78471986

Reduced:

N2O4H21C23 (1)

Stoich.:

A2B4C21D23 (1)

Weight, g/mol:

379.093011

ΔHf, kcal/mol:

-67.19

Dipole, Da:

4.8

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.112079

Charge, e:

 -1

Chem-info

IUPAC name:

2-methyl-3-[5-[(2,4,6-trioxo-1-prop-2-enyl-1,3-diazinan-5-ylidene)methyl]furan-2-yl]benzoate

Drug info:

PubChemData

Smile

CC(C)(C#CC1=CC=C(C=C1)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)[O-])O

DOS

IR

Vibrations