Geometry & MOs

Info

ID:	350734
PubChem CID:	127279022
Reduced:	SN2O3C11H20 (1)
Stoich.:	AB2C3D11E20 (1)
Weight, g/mol:	277.165349
ΔH_f, kcal/mol:	-149.25
Dipole, Da:	3.53
IP(EA), eV:	-9.41(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,2-dimethylpyrrolidin-1-yl)-[3-(trifluoromethyl)cyclohexyl]methanone

Drug info:

PubChemData

Smile

CC1(CCCN1C(=O)CN2CCCS2(=O)=O)C

DOS

IR

Vibrations