Geometry & MOs

Info

ID:	346219
PubChem CID:	127270710
Reduced:	SO2N3C14H19 (1)
Stoich.:	AB2C3D14E19 (1)
Weight, g/mol:	267.194677
ΔH_f, kcal/mol:	-64.02
Dipole, Da:	6.76
IP(EA), eV:	-9.14(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-cyclohexylacetyl)-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

C1CC2=C(C1)SC(=C2)C(=O)N3CCCN(CC3)C(=O)N

DOS

IR

Vibrations