Geometry & MOs

Info

ID:	313555
PubChem CID:	126615876
Reduced:	PO3N4C15H17 (1)
Stoich.:	AB3C4D15E17 (1)
Weight, g/mol:	551.25842
ΔH_f, kcal/mol:	-80.38
Dipole, Da:	3.51
IP(EA), eV:	-9.26(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-amino-4-(3,4-dihydro-2H-chromen-6-yl)-5-[2-[(3-fluoro-2-methylphenyl)methyl]-3,4-dihydro-1H-isoquinolin-6-yl]-2-methylpyridin-3-yl]acetic acid

Drug info:

PubChemData

Smile

CC1=NC=CC(=N1)NC(=O)C2=CC(=O)N(C3=C2CCOCC3)P

DOS

IR

Vibrations