Geometry & MOs

Info

ID:	249955
PubChem CID:	103093116
Reduced:	NOBr2C10H13 (1)
Stoich.:	ABC2D10E13 (1)
Weight, g/mol:	214.146999
ΔH_f, kcal/mol:	2.33
Dipole, Da:	5.0
IP(EA), eV:	-8.72(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-(1H-indol-3-yl)-N,3-dimethylbut-3-en-2-amine

Drug info:

PubChemData

Smile

CC(C(=CC1=CC(=C(O1)Br)Br)C)NC

DOS

IR

Vibrations