Geometry & MOs

Info

ID:	373285
PubChem CID:	131312686
Reduced:	BrN2C12H13 (1)
Stoich.:	AB2C12D13 (1)
Weight, g/mol:	263.00581
ΔH_f, kcal/mol:	51.52
Dipole, Da:	2.59
IP(EA), eV:	-8.91(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-amino-3-(6-bromo-1H-indol-2-yl)propanenitrile

Drug info:

PubChemData

Smile

C=CC[C@H](C1=CC2=C(N1)C=CC(=C2)Br)N

DOS

IR

Vibrations