Geometry & MOs

Info

ID:	419305
PubChem CID:	135107959
Reduced:	NO2C9H11 (3)
Stoich.:	AB2C9D11 (3)
Weight, g/mol:	325.215413
ΔH_f, kcal/mol:	-224.19
Dipole, Da:	4.38
IP(EA), eV:	-8.12(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4aS,8aS)-1-methyl-7-(4-methylquinolin-2-yl)-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridin-4a-yl]methanol

Drug info:

PubChemData

Smile

CCC(=O)N1CCCCOC2=C(C=CC(=C2)C3CC(=O)NC4=C3C=CC(=C4)OCCNC(=O)C1)OC

DOS

IR

Vibrations