Geometry & MOs

Info

ID:	274918
PubChem CID:	103812518
Reduced:	OSN2C10H20 (1)
Stoich.:	ABC2D10E20 (1)
Weight, g/mol:	290.145285
ΔH_f, kcal/mol:	-74.07
Dipole, Da:	4.51
IP(EA), eV:	-8.69(0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methylsulfanylcyclopentyl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamide

Drug info:

PubChemData

Smile

CC(CC(=O)NC1CCC(C1)SC)N

DOS

IR

Vibrations