Geometry & MOs

Info

ID:

190043

PubChem CID:

77944068

Reduced:

O4N9C45H49 (1)

Stoich.:

A4B9C45D49 (1)

Weight, g/mol:

454.174001

ΔHf, kcal/mol:

-17.7

Dipole, Da:

5.5

IP(EA), eV:

 -8.68(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-O-tert-butyl 8-O-methyl 3-(4-hydroxyphenyl)-2-oxo-1,6,8,9-tetrahydropyrido[4,3-g][1,4]benzoxazine-7,8-dicarboxylate

Drug info:

PubChemData

Smile

CN(C)C(C1=CC=CC=C1)C(=O)N2CCCC2C3=NC=C(N3)C4=CN=C(C=C4)C5=CC=C(C=C5)C6CN=C(N6)C7CCCN7C(=O)C(C8=CC=CC=C8)NC(=O)OC

DOS

IR

Vibrations