Geometry & MOs

Info

ID:	164340
PubChem CID:	74383032
Reduced:	OSN2H22C23 (1)
Stoich.:	ABC2D22E23 (1)
Weight, g/mol:	513.280298
ΔH_f, kcal/mol:	23.14
Dipole, Da:	2.79
IP(EA), eV:	-8.85(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-butyl-2-oxopyrrolidin-1-yl)-N-[3-(3,5-difluorophenyl)-1-hydroxy-1-(1,2,3,4-tetrahydroisoquinolin-3-yl)propan-2-yl]propanamide

Drug info:

PubChemData

Smile

C1C2CC3CN(C2)CC1C34CC5=C(C=CC=C5O4)C6=CSC7=C6C=CC=N7

DOS

IR

Vibrations