Geometry & MOs

Info

ID:	296356
PubChem CID:	117569798
Reduced:	BrN3C12H18 (1)
Stoich.:	AB3C12D18 (1)
Weight, g/mol:	241.157898
ΔH_f, kcal/mol:	24.97
Dipole, Da:	3.82
IP(EA), eV:	-8.39(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(1H-indol-3-yl)ethylamino]-2,2-dimethylpropanenitrile

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NCN2CCNCC2)Br

DOS

IR

Vibrations