Geometry & MOs

Info

ID:	142054
PubChem CID:	52973510
Reduced:	O4N5C20H27 (1)
Stoich.:	A4B5C20D27 (1)
Weight, g/mol:	403.174336
ΔH_f, kcal/mol:	-131.51
Dipole, Da:	6.31
IP(EA), eV:	-8.34(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-2-[(3,4,5-trimethoxybenzoyl)hydrazinylidene]-4a,5,6,7,8,8a-hexahydrochromene-3-carboxamide

Drug info:

PubChemData

Smile

C1CCC2C(C1)C(=O)NN(C2=O)CCC(=O)NC3=CN=C(C=C3)N4CCOCC4

DOS

IR

Vibrations