Geometry & MOs

Info

ID:	323952
PubChem CID:	126676662
Reduced:	O2N8C21H28 (1)
Stoich.:	A2B8C21D28 (1)
Weight, g/mol:	424.15537
ΔH_f, kcal/mol:	6.7
Dipole, Da:	2.14
IP(EA), eV:	-8.29(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[6-[4-[(3-chlorophenyl)methoxy]phenyl]-3,4,7,8-tetrahydro-1H-2,7-naphthyridin-2-yl]propanoic acid

Drug info:

PubChemData

Smile

C1CN(CC1O)C(=O)C2=CC=C(C=C2)CN=C/C(=C\N)/CC3=CC(=NC(=C3N)NN)N

DOS

IR

Vibrations