Geometry & MOs

Info

ID:	198909
PubChem CID:	79170903
Reduced:	SN4C15H26 (1)
Stoich.:	AB4C15D26 (1)
Weight, g/mol:	279.231063
ΔH_f, kcal/mol:	71.23
Dipole, Da:	4.85
IP(EA), eV:	-8.18(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-aminocyclohexyl)-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanone

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)N2CCC3CCC(C2)N3C)C(C)NC

DOS

IR

Vibrations