Geometry & MOs

Info

ID:	350115
PubChem CID:	127277193
Reduced:	SN2O2C11H22 (1)
Stoich.:	AB2C2D11E22 (1)
Weight, g/mol:	294.140199
ΔH_f, kcal/mol:	-108.81
Dipole, Da:	3.61
IP(EA), eV:	-9.43(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1CCCN1S(=O)(=O)N2CCCCC2

DOS

IR

Vibrations