Geometry & MOs

Info

ID:	289832
PubChem CID:	104377454
Reduced:	BrClN2C11H16 (1)
Stoich.:	ABC2D11E16 (1)
Weight, g/mol:	250.240899
ΔH_f, kcal/mol:	12.49
Dipole, Da:	2.49
IP(EA), eV:	-8.9(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[2-(1-adamantyl)ethyl]-N-ethylethane-1,2-diamine

Drug info:

PubChemData

Smile

CCNCCNCC1=C(C(=CC=C1)Br)Cl

DOS

IR

Vibrations