Geometry & MOs

Info

ID:	352084
PubChem CID:	127283152
Reduced:	SN2O2C12H22 (1)
Stoich.:	AB2C2D12E22 (1)
Weight, g/mol:	257.156184
ΔH_f, kcal/mol:	-113.85
Dipole, Da:	1.25
IP(EA), eV:	-8.81(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]thiomorpholine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CN(CCS1)C(=O)NCC2CCCCO2

DOS

IR

Vibrations