Geometry & MOs

Info

ID:	83591
PubChem CID:	49858458
Reduced:	NOC9H11 (2)
Stoich.:	ABC9D11 (2)
Weight, g/mol:	541.294057
ΔH_f, kcal/mol:	-54.43
Dipole, Da:	3.31
IP(EA), eV:	-9.29(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(6,7-dimethyl-3,4-dihydro-2H-1,5-naphthyridin-1-yl)-N-[[(2S,3S,6S)-3-(4-methoxyphenoxy)-6-phenyl-3,6-dihydro-2H-pyran-2-yl]methoxy]butan-2-imine

Drug info:

PubChemData

Smile

CC(=C)CCCN1C=C(C(NC1=O)C2=CC=CC=C2)C(=O)C

DOS

IR

Vibrations