Geometry & MOs

Info

ID:	313959
PubChem CID:	126619185
Reduced:	N3O5F7H28C29 (1)
Stoich.:	A3B5C7D28E29 (1)
Weight, g/mol:	438.175499
ΔH_f, kcal/mol:	-510.27
Dipole, Da:	10.42
IP(EA), eV:	-9.14(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1C(F)(F)F)COC2=CC(=C(C=C2)C3=NC=C4CN(CCC4=N3)CC(C)CC(=O)O)F.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations