Geometry & MOs

Info

ID:	313943
PubChem CID:	126619159
Reduced:	ClN3H20C21 (1)
Stoich.:	AB3C20D21 (1)
Weight, g/mol:	454.170414
ΔH_f, kcal/mol:	67.43
Dipole, Da:	4.47
IP(EA), eV:	-9.09(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[4-[[4-(difluoromethoxy)phenyl]methoxy]phenyl]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propanoic acid

Drug info:

PubChemData

Smile

C1CNCC2=CN=C(N=C21)C3=CC=C(C=C3)CCC4=CC=C(C=C4)Cl

DOS

IR

Vibrations