Geometry & MOs

Info

ID:	206059
PubChem CID:	80194876
Reduced:	N2O4C13H22 (1)
Stoich.:	A2B4C13D22 (1)
Weight, g/mol:	290.049191
ΔH_f, kcal/mol:	-199.61
Dipole, Da:	3.3
IP(EA), eV:	-9.64(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-5-(3,3-dimethylpyrrolidin-1-yl)sulfonyl-1H-pyridin-2-one

Drug info:

PubChemData

Smile

CC1CN(CC1C(=O)O)C(=O)NCC2(CCCO2)C

DOS

IR

Vibrations