Geometry & MOs

Info

ID:	80713
PubChem CID:	49836258
Reduced:	NBr2H7C10 (1)
Stoich.:	AB2C7D10 (1)
Weight, g/mol:	429.241627
ΔH_f, kcal/mol:	70.82
Dipole, Da:	3.21
IP(EA), eV:	-9.74(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[(1S,3R)-3-[benzyl(methyl)amino]cyclopentyl]-5-cyanoindole-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=C(Br)Br)C#N

DOS

IR

Vibrations