Geometry & MOs

Info

ID:	345165
PubChem CID:	127268925
Reduced:	SN2O2C10H20 (1)
Stoich.:	AB2C2D10E20 (1)
Weight, g/mol:	280.124549
ΔH_f, kcal/mol:	-104.09
Dipole, Da:	3.15
IP(EA), eV:	-9.46(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methylpyrrolidin-1-yl)sulfonyl-3,4-dihydro-1H-isoquinoline

Drug info:

PubChemData

Smile

CC1CCN(C1)S(=O)(=O)N2CCCCC2

DOS

IR

Vibrations