Geometry & MOs

Info

ID:	261034
PubChem CID:	103215242
Reduced:	ClINOF3H10C14 (1)
Stoich.:	ABCDE3F10G14 (1)
Weight, g/mol:	374.99992
ΔH_f, kcal/mol:	-145.62
Dipole, Da:	1.8
IP(EA), eV:	-9.64(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-chloro-4-iodophenyl)-(2-methylpyrazol-3-yl)methyl]ethanamine

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)OC(F)(F)F)C(C2=CC(=C(C=C2)I)Cl)N

DOS

IR

Vibrations