Geometry & MOs

Info

ID:	190784
PubChem CID:	78056571
Reduced:	PO9C10H17 (1)
Stoich.:	AB9C10D17 (1)
Weight, g/mol:	403.189592
ΔH_f, kcal/mol:	-426.83
Dipole, Da:	6.2
IP(EA), eV:	-9.55(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[3-[5-(4-methoxyphenyl)-2,3,4,7-tetrahydroazepin-1-yl]-3-oxoprop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one

Drug info:

PubChemData

Smile

CCOC1=C(C(=O)OC1C(CO)OP(=O)(O)O)OCC

DOS

IR

Vibrations