Geometry & MOs

Info

ID:	367584
PubChem CID:	127325046
Reduced:	ON4C12H20 (1)
Stoich.:	AB4C12D20 (1)
Weight, g/mol:	252.220164
ΔH_f, kcal/mol:	-16.13
Dipole, Da:	5.94
IP(EA), eV:	-8.6(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methylcyclohexyl)-1-(4-methyl-1,4-diazepan-1-yl)ethanone

Drug info:

PubChemData

Smile

CC1=C(NN=C1C(=O)N2CCCN(CC2)C)C

DOS

IR

Vibrations