Geometry & MOs

Info

ID:	204709
PubChem CID:	79999130
Reduced:	N4C17H28 (1)
Stoich.:	A4B17C28 (1)
Weight, g/mol:	353.08128
ΔH_f, kcal/mol:	-6.33
Dipole, Da:	6.19
IP(EA), eV:	-9.26(0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-bromothiophen-2-yl)methyl]-3,5-dimethyladamantan-1-amine

Drug info:

PubChemData

Smile

CC1=NN=C(N1C)CNC23CC4CC(C2)(CC(C4)(C3)C)C

DOS

IR

Vibrations