Geometry & MOs

Info

ID:	366054
PubChem CID:	127319370
Reduced:	SN2O3C11H20 (1)
Stoich.:	AB2C3D11E20 (1)
Weight, g/mol:	239.199762
ΔH_f, kcal/mol:	-135.93
Dipole, Da:	7.78
IP(EA), eV:	-9.38(0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4,7-dimethyl-1,4-diazepan-1-yl)-(1-methylpyrrolidin-2-yl)methanone

Drug info:

PubChemData

Smile

CN1CCCC1C(=O)N2CCCS(=O)(=O)CC2

DOS

IR

Vibrations