Geometry & MOs

Info

ID:	31959
PubChem CID:	3725305
Reduced:	NO2C12H19 (1)
Stoich.:	AB2C12D19 (1)
Weight, g/mol:	323.120755
ΔH_f, kcal/mol:	-122.75
Dipole, Da:	3.22
IP(EA), eV:	-10.08(0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(3,4-dichlorophenyl)-1-adamantyl]ethanamine

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)(C3)C(=O)NCO

DOS

IR

Vibrations