Geometry & MOs

Info

ID:	287342
PubChem CID:	104238010
Reduced:	ClNOC7H7 (2)
Stoich.:	ABCD7E7 (2)
Weight, g/mol:	326.058883
ΔH_f, kcal/mol:	-39.0
Dipole, Da:	1.47
IP(EA), eV:	-9.25(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-chloro-4-[(4-chloro-2-ethyl-5-methylpyrazol-3-yl)methoxy]phenyl]ethanone

Drug info:

PubChemData

Smile

CC1=NN(C(=C1Cl)COC2=C(C=C(C=C2)C(=O)C)Cl)C

DOS

IR

Vibrations