Geometry & MOs

Info

ID:	322276
PubChem CID:	126669580
Reduced:	N2O3C28H28 (1)
Stoich.:	A2B3C28D28 (1)
Weight, g/mol:	462.231871
ΔH_f, kcal/mol:	-50.81
Dipole, Da:	7.52
IP(EA), eV:	-9.0(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[2-[[[(1R)-1-(4-fluoro-3-methoxyphenyl)ethyl]amino]methyl]-5,6,7,8-tetrahydroquinolin-4-yl]-2-methylbenzoate

Drug info:

PubChemData

Smile

CC1=CC(=CN=C1C(=O)O)C2=CC(=CC3=CC=CC=C32)C(C)N[C@H](C)C4=CC(=CC=C4)OC

DOS

IR

Vibrations