Geometry & MOs

Info

ID:	81065
PubChem CID:	49854308
Reduced:	O3N5C36H37 (1)
Stoich.:	A3B5C36D37 (1)
Weight, g/mol:	519.288577
ΔH_f, kcal/mol:	-3.9
Dipole, Da:	7.21
IP(EA), eV:	-8.76(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2,7-dimethyl-4,8-diphenyl-5-(3-phenylpropylamino)-1,4,7,8-tetrahydro-1,6-naphthyridine-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(NC2=C(C1C3=CC=CC=C3)C(=NC(=O)N2C4=CC=CC=C4)N5CCN(CC5)C/C=C/C6=CC=CC=C6)C

DOS

IR

Vibrations