Geometry & MOs

Info

ID:	322401
PubChem CID:	126669999
Reduced:	FN2C30H31 (1)
Stoich.:	AB2C30D31 (1)
Weight, g/mol:	468.241293
ΔH_f, kcal/mol:	33.46
Dipole, Da:	2.03
IP(EA), eV:	-9.07(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-[3-[1-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]ethyl]isoquinolin-1-yl]-2-methylphenyl]propanoic acid

Drug info:

PubChemData

Smile

CCC1=CC(=CC=C1)CNC(C)C2=CC3=CC=CC=C3C(=N2)C4=CC(=CC(=C4)CCC=C)F

DOS

IR

Vibrations