Geometry & MOs

Info

ID:	444966
PubChem CID:	135264109
Reduced:	CNH3 (4)
Stoich.:	ABC3 (4)
Weight, g/mol:	462.195486
ΔH_f, kcal/mol:	57.34
Dipole, Da:	4.84
IP(EA), eV:	-8.74(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-[2-(2-fluoro-5-methylbenzoyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-(6-methoxy-4-methylpyridin-3-yl)propanoic acid

Drug info:

PubChemData

Smile

CCN=[N+]=[N-].CNC

DOS

IR

Vibrations