Geometry & MOs

Info

ID:	198905
PubChem CID:	79170405
Reduced:	ON3C15H31 (1)
Stoich.:	AB3C15D31 (1)
Weight, g/mol:	237.220498
ΔH_f, kcal/mol:	-6.85
Dipole, Da:	2.17
IP(EA), eV:	-8.37(2.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(azepan-3-yl)-9-methyl-3,9-diazabicyclo[4.2.1]nonane

Drug info:

PubChemData

Smile

CCCNC(CCN1CCC2CCC(C1)N2C)CO

DOS

IR

Vibrations