Geometry & MOs

Info

ID:	311716
PubChem CID:	126597212
Reduced:	FNO3C20H22 (1)
Stoich.:	ABC3D20E22 (1)
Weight, g/mol:	481.164914
ΔH_f, kcal/mol:	-146.95
Dipole, Da:	1.35
IP(EA), eV:	-8.82(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[3-ethoxy-4-(5-fluoro-2-pyrazin-2-yloxycarbonyloxy-3,4-dihydro-1H-isoquinolin-8-yl)phenyl]acetate

Drug info:

PubChemData

Smile

CCOC(=O)CC1=CC(=C(C=C1)OC)C2=C(C=CC3=C2CNCC3)F

DOS

IR

Vibrations