Geometry & MOs

Info

ID:	365488
PubChem CID:	127317908
Reduced:	SN3O3C14H27 (1)
Stoich.:	AB3C3D14E27 (1)
Weight, g/mol:	239.199762
ΔH_f, kcal/mol:	-142.82
Dipole, Da:	7.36
IP(EA), eV:	-9.74(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(cyclobutylmethyl)-4,7-dimethyl-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CC1CCC(C(C1)C)NC(=O)NCCS(=O)(=O)NC2CC2

DOS

IR

Vibrations