Geometry & MOs

Info

ID:	364449
PubChem CID:	127315701
Reduced:	ON3C15H25 (1)
Stoich.:	AB3C15D25 (1)
Weight, g/mol:	295.225977
ΔH_f, kcal/mol:	-31.42
Dipole, Da:	5.69
IP(EA), eV:	-8.86(0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4,7-dimethyl-1,4-diazepane-1-carbonyl)piperidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1CCN(CCN1C(=O)C2(CCCCC2)C#N)C

DOS

IR

Vibrations