Geometry & MOs

Info

ID:	354705
PubChem CID:	127287404
Reduced:	SN3O3C12H23 (1)
Stoich.:	AB3C3D12E23 (1)
Weight, g/mol:	239.199762
ΔH_f, kcal/mol:	-153.04
Dipole, Da:	3.76
IP(EA), eV:	-9.18(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-N-(2-methylcyclopentyl)-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CC1CCCC1NC(=O)N2CCN(CC2)S(=O)(=O)C

DOS

IR

Vibrations