Geometry & MOs

Info

ID:	373757
PubChem CID:	131319712
Reduced:	ClIN2C12H12 (1)
Stoich.:	ABC2D12E12 (1)
Weight, g/mol:	223.077933
ΔH_f, kcal/mol:	58.7
Dipole, Da:	3.41
IP(EA), eV:	-9.43(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-2-(4-methyl-2-pyrrol-2-ylidene-3H-1,3-thiazol-5-yl)ethanol

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(C2=CN(N=C2)C)Cl)I

DOS

IR

Vibrations