Geometry & MOs

Info

ID:	345744
PubChem CID:	127270044
Reduced:	SN2O3C13H24 (1)
Stoich.:	AB2C3D13E24 (1)
Weight, g/mol:	266.199428
ΔH_f, kcal/mol:	-152.56
Dipole, Da:	4.5
IP(EA), eV:	-9.17(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(cycloheptanecarbonyl)-1,4-diazepan-1-yl]ethanone

Drug info:

PubChemData

Smile

CS(=O)(=O)N1CCN(CC1)C(=O)C2CCCCCC2

DOS

IR

Vibrations