Geometry & MOs

Info

ID:	132978
PubChem CID:	51457007
Reduced:	N4O5C25H40 (1)
Stoich.:	A4B5C25D40 (1)
Weight, g/mol:	451.221954
ΔH_f, kcal/mol:	-193.75
Dipole, Da:	5.16
IP(EA), eV:	-9.07(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-cyano-5-oxo-1-propan-2-yl-3,4,4a,7,8,9,10,10a,11,11a-decahydropyrido[1,2-g][1,6]naphthyridin-2-ylidene)-4-methyl-3-nitrobenzamide

Drug info:

PubChemData

Smile

COC1CCC(CC1)C2=NN=C3N2C4CCCCC4C(=O)N3C5CC(C(C(C5)OC)OC)OC

DOS

IR

Vibrations