Geometry & MOs

Info

ID:	276032
PubChem CID:	103820078
Reduced:	N7C9H13 (1)
Stoich.:	A7B9C13 (1)
Weight, g/mol:	263.155515
ΔH_f, kcal/mol:	70.43
Dipole, Da:	3.48
IP(EA), eV:	-8.8(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(3,3-dimethylbutylsulfonyl)pyrrolidin-3-yl]ethanol

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)N)NCCC2=NC=NN2

DOS

IR

Vibrations