Geometry & MOs

Info

ID:	206458
PubChem CID:	80254737
Reduced:	ON3C15H23 (1)
Stoich.:	AB3C15D23 (1)
Weight, g/mol:	262.215747
ΔH_f, kcal/mol:	-37.45
Dipole, Da:	2.51
IP(EA), eV:	-9.41(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(2-methylpropyl)-N'-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)ethane-1,2-diamine

Drug info:

PubChemData

Smile

C1CCC2=C(CC1)N=CN=C2OC3CCCC3CN

DOS

IR

Vibrations