Geometry & MOs

Info

ID:	205683
PubChem CID:	80133711
Reduced:	ClON4C14H21 (1)
Stoich.:	ABC4D14E21 (1)
Weight, g/mol:	284.075012
ΔH_f, kcal/mol:	-4.58
Dipole, Da:	5.18
IP(EA), eV:	-8.83(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)-2-thiophen-3-ylethanol

Drug info:

PubChemData

Smile

CC1=NN(C(=C1)CC(C2=C(N(N=C2C(C)C)C)Cl)O)C

DOS

IR

Vibrations