Geometry & MOs

Info

ID:	310877
PubChem CID:	126588346
Reduced:	ClON2C12H13 (1)
Stoich.:	ABC2D12E13 (1)
Weight, g/mol:	341.12949
ΔH_f, kcal/mol:	10.99
Dipole, Da:	0.68
IP(EA), eV:	-8.28(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(5-chloro-1-methylpyrazol-3-yl)-2-methylphenoxy]methyl]-3-methylaniline

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C2=NN(C(=C2)Cl)C)OC

DOS

IR

Vibrations