Geometry & MOs

Info

ID:	296539
PubChem CID:	117582061
Reduced:	BrSN3H8C11 (1)
Stoich.:	ABC3D8E11 (1)
Weight, g/mol:	268.078268
ΔH_f, kcal/mol:	95.53
Dipole, Da:	6.74
IP(EA), eV:	-9.02(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1-methylindol-3-yl)methylamino]-1,3-thiazole-5-carbonitrile

Drug info:

PubChemData

Smile

CN(C1=CC=CC=C1Br)C2=NC=C(S2)C#N

DOS

IR

Vibrations