Geometry & MOs

Info

ID:	373312
PubChem CID:	131313115
Reduced:	BrClNOC11H15 (1)
Stoich.:	ABCDE11F15 (1)
Weight, g/mol:	199.110947
ΔH_f, kcal/mol:	-51.92
Dipole, Da:	2.35
IP(EA), eV:	-9.38(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-2-(5-methyl-1H-indol-2-yl)propanenitrile

Drug info:

PubChemData

Smile

CC(C)CC(C1=C(C=CC(=C1O)Br)Cl)N

DOS

IR

Vibrations