Geometry & MOs

Info

ID:	325536
PubChem CID:	126683824
Reduced:	FN2O2H9C14 (1)
Stoich.:	AB2C2D9E14 (1)
Weight, g/mol:	483.220972
ΔH_f, kcal/mol:	-45.63
Dipole, Da:	2.95
IP(EA), eV:	-9.73(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-2,5-dimethyl-3-[(2R,4R)-2-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]-3,4-dihydro-2H-chromen-4-yl]benzoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N(C2=CC(=C(C=C2)C#N)F)C(=O)O

DOS

IR

Vibrations