Geometry & MOs

Info

ID:	175233
PubChem CID:	75871662
Reduced:	N4O5C26H26 (1)
Stoich.:	A4B5C26D26 (1)
Weight, g/mol:	420.190989
ΔH_f, kcal/mol:	-81.77
Dipole, Da:	3.25
IP(EA), eV:	-8.67(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-dimethyl-2,4-dioxo-N-(4-phenyldiazenylphenyl)-4a,5,6,7,8,8a-hexahydropyrido[2,3-d]pyrimidine-7-carboxamide

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)N2CC(CC2=O)C(=O)NC3=CC=C(C=C3)N=NC4=CC=CC=C4

DOS

IR

Vibrations