Geometry & MOs

Info

ID:	352955
PubChem CID:	127284046
Reduced:	SO3N5C18H19 (1)
Stoich.:	AB3C5D18E19 (1)
Weight, g/mol:	281.210327
ΔH_f, kcal/mol:	-48.19
Dipole, Da:	6.7
IP(EA), eV:	-8.9(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(1-ethylpiperidine-2-carbonyl)-1,4-diazepan-1-yl]ethanone

Drug info:

PubChemData

Smile

CN1C=CC=C(C1=O)C(=O)N2CCN(CC2)CC3=CC(=O)N4C=CSC4=N3

DOS

IR

Vibrations