Geometry & MOs

Info

ID:	2027
PubChem CID:	5617
Reduced:	ON3C21H35 (1)
Stoich.:	AB3C21D35 (1)
Weight, g/mol:	345.278013
ΔH_f, kcal/mol:	-70.19
Dipole, Da:	3.46
IP(EA), eV:	-8.83(1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(2-adamantyl)-N-cyclohexylmorpholine-4-carboximidamide

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=NC2C3CC4CC(C3)CC2C4)N5CCOCC5

DOS

IR

Vibrations