Geometry & MOs

Info

ID:	364289
PubChem CID:	127315388
Reduced:	N3O3C20H35 (1)
Stoich.:	A3B3C20D35 (1)
Weight, g/mol:	240.183778
ΔH_f, kcal/mol:	-163.27
Dipole, Da:	3.43
IP(EA), eV:	-8.92(0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-acetyl-1,4-diazepan-1-yl)-2,3-dimethylbutan-1-one

Drug info:

PubChemData

Smile

CC1CCCCC1OCC(=O)N2CCN(CC2)CC(=O)N3CCCCC3

DOS

IR

Vibrations