Geometry & MOs

Info

ID:	284579
PubChem CID:	104053912
Reduced:	BrOCl2C17H17 (1)
Stoich.:	ABC2D17E17 (1)
Weight, g/mol:	238.088832
ΔH_f, kcal/mol:	-37.8
Dipole, Da:	3.44
IP(EA), eV:	-9.31(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-amino-1,3-thiazol-5-yl)-(3-ethyl-1-methylpyrazol-4-yl)methanol

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(C2=C(C(=CC(=C2C)Br)C)OC)Cl)Cl

DOS

IR

Vibrations