Geometry & MOs

Info

ID:	372648
PubChem CID:	131301560
Reduced:	BrN2O2C11H11 (1)
Stoich.:	AB2C2D11E11 (1)
Weight, g/mol:	199.110947
ΔH_f, kcal/mol:	-30.38
Dipole, Da:	4.42
IP(EA), eV:	-9.7(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-1,2,3-trimethylindole-6-carbonitrile

Drug info:

PubChemData

Smile

C1COC2=CC(=CC(=C2C1(CO)N)C#N)Br

DOS

IR

Vibrations