Geometry & MOs

Info

ID:	364474
PubChem CID:	127315726
Reduced:	ON3C13H19 (1)
Stoich.:	AB3C13D19 (1)
Weight, g/mol:	281.210327
ΔH_f, kcal/mol:	-8.77
Dipole, Da:	5.91
IP(EA), eV:	-8.92(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4,7-dimethyl-1,4-diazepan-1-yl)-2-oxoethyl]azepan-2-one

Drug info:

PubChemData

Smile

CC1CCN(CCN1C(=O)C2=CC=CC=N2)C

DOS

IR

Vibrations