Geometry & MOs

Info

ID:	350988
PubChem CID:	127279298
Reduced:	SN2O2C11H22 (1)
Stoich.:	AB2C2D11E22 (1)
Weight, g/mol:	294.140199
ΔH_f, kcal/mol:	-112.73
Dipole, Da:	3.76
IP(EA), eV:	-9.42(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(CCCN1S(=O)(=O)N2CCCCC2)C

DOS

IR

Vibrations