Geometry & MOs

Info

ID:	205936
PubChem CID:	80179989
Reduced:	NO4C10H15 (1)
Stoich.:	AB4C10D15 (1)
Weight, g/mol:	297.103479
ΔH_f, kcal/mol:	-169.06
Dipole, Da:	6.14
IP(EA), eV:	-9.86(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3,3-dimethylpyrrolidin-1-yl)sulfonyl-2-methylbenzoic acid

Drug info:

PubChemData

Smile

CC1(CCCO1)CNC(=O)C=CC(=O)O

DOS

IR

Vibrations