Geometry & MOs

Info

ID:	353113
PubChem CID:	127284293
Reduced:	N3O3C21H29 (1)
Stoich.:	A3B3C21D29 (1)
Weight, g/mol:	253.179027
ΔH_f, kcal/mol:	-120.9
Dipole, Da:	3.39
IP(EA), eV:	-8.61(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-ethylpiperidine-2-carbonyl)-1,4-diazepan-5-one

Drug info:

PubChemData

Smile

CC1C(=O)NC2=CC=CC(=C2O1)C(=O)N3CCN(CC3)CC4CCCCC4

DOS

IR

Vibrations