Geometry & MOs

Info

ID:	278277
PubChem CID:	103834529
Reduced:	N2O2C15H24 (1)
Stoich.:	A2B2C15D24 (1)
Weight, g/mol:	308.119464
ΔH_f, kcal/mol:	-100.03
Dipole, Da:	5.0
IP(EA), eV:	-8.71(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]sulfonyl-3-methylbenzonitrile

Drug info:

PubChemData

Smile

CCC(C)(CCO)NCC1=CC=CC=C1NC(=O)C

DOS

IR

Vibrations