Geometry & MOs

Info

ID:	261050
PubChem CID:	103215608
Reduced:	ClIN4C14H18 (1)
Stoich.:	ABC4D14E18 (1)
Weight, g/mol:	436.99225
ΔH_f, kcal/mol:	71.29
Dipole, Da:	3.26
IP(EA), eV:	-9.22(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chloro-2-ethyl-5-methylpyrazol-3-yl)-1-(3-chloro-4-iodophenyl)-N-methylethanamine

Drug info:

PubChemData

Smile

CCCNC(CC1=NC=NN1C)C2=CC(=C(C=C2)I)Cl

DOS

IR

Vibrations