Geometry & MOs

Info

ID:	372530
PubChem CID:	131299328
Reduced:	BrNO2C10H10 (1)
Stoich.:	ABC2D10E10 (1)
Weight, g/mol:	239.05509
ΔH_f, kcal/mol:	-33.6
Dipole, Da:	5.05
IP(EA), eV:	-9.83(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methylsulfanyl-3-[(4-methyl-1,3-thiazol-5-yl)methyl]-1H-pyrrol-2-amine

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)Br)C(C#N)O)OC

DOS

IR

Vibrations