Geometry & MOs

Info

ID:	321846
PubChem CID:	126667072
Reduced:	IOPN5C10H11 (1)
Stoich.:	ABCD5E10F11 (1)
Weight, g/mol:	431.06413
ΔH_f, kcal/mol:	55.29
Dipole, Da:	4.66
IP(EA), eV:	-9.47(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(4-chlorophenyl)pyrazol-1-yl]-1-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]ethanol

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)C2=NN(C3=C2C(=NC=N3)I)P

DOS

IR

Vibrations