Geometry & MOs

Info

ID:	364442
PubChem CID:	127315694
Reduced:	OSN2C12H18 (1)
Stoich.:	ABC2D12E18 (1)
Weight, g/mol:	281.210327
ΔH_f, kcal/mol:	-13.74
Dipole, Da:	5.12
IP(EA), eV:	-8.83(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(4,7-dimethyl-1,4-diazepane-1-carbonyl)piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1CCN(CCN1C(=O)C2=CSC=C2)C

DOS

IR

Vibrations