Geometry & MOs

Info

ID:	364429
PubChem CID:	127315681
Reduced:	OSN3C13H17 (1)
Stoich.:	ABC3D13E17 (1)
Weight, g/mol:	295.225977
ΔH_f, kcal/mol:	17.71
Dipole, Da:	6.03
IP(EA), eV:	-8.99(-1.02)
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]azocan-2-one

Drug info:

PubChemData

Smile

CC1CCN(CCN1C(=O)C2=C(C=CS2)C#N)C

DOS

IR

Vibrations