Geometry & MOs

Info

ID:	364447
PubChem CID:	127315699
Reduced:	OSN2C13H20 (1)
Stoich.:	ABC2D13E20 (1)
Weight, g/mol:	252.220164
ΔH_f, kcal/mol:	-26.15
Dipole, Da:	5.23
IP(EA), eV:	-8.83(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclohexyl-1-(4,7-dimethyl-1,4-diazepan-1-yl)ethanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations