Geometry & MOs

Info

ID:	323737
PubChem CID:	126675935
Reduced:	NOC11H12 (2)
Stoich.:	ABC11D12 (2)
Weight, g/mol:	442.206799
ΔH_f, kcal/mol:	1.74
Dipole, Da:	3.6
IP(EA), eV:	-7.95(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C#CC2=CC=C3CN(CCC3N2)C4CC(C4)C(=O)O

DOS

IR

Vibrations