Geometry & MOs

Info

ID:	167313
PubChem CID:	74807457
Reduced:	NOC10H13 (3)
Stoich.:	ABC10D13 (3)
Weight, g/mol:	450.251858
ΔH_f, kcal/mol:	-99.84
Dipole, Da:	4.33
IP(EA), eV:	-9.22(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2,3-dihydro-1H-inden-2-yl)-1-[(3,4,5-trimethoxyphenyl)methyl]-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one

Drug info:

PubChemData

Smile

CCC(=O)NC1C(C2(CCN(CC2)C(=O)C3C(C3(C)C)(C)C)C4=CC=CC=C14)OCC5=CN=CC=C5

DOS

IR

Vibrations