Geometry & MOs

Info

ID:	313890
PubChem CID:	126618690
Reduced:	N3O3C25H33 (1)
Stoich.:	A3B3C25D33 (1)
Weight, g/mol:	492.217971
ΔH_f, kcal/mol:	-84.55
Dipole, Da:	5.39
IP(EA), eV:	-9.19(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[6-[4-[(4-chlorophenyl)methoxy]-3-methylphenyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]propanoate

Drug info:

PubChemData

Smile

CCOC(=O)CC(C)CN1CCC2=NC(=NC=C2C1)C3CC(C3)OCC4=CC=CC=C4

DOS

IR

Vibrations