Geometry & MOs

Info

ID:	261047
PubChem CID:	103215553
Reduced:	ICl2N2C15H15 (1)
Stoich.:	AB2C2D15E15 (1)
Weight, g/mol:	466.92608
ΔH_f, kcal/mol:	52.34
Dipole, Da:	5.89
IP(EA), eV:	-9.36(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromo-5-ethyl-2-methylpyrazol-3-yl)-1-(3-chloro-4-iodophenyl)ethanamine

Drug info:

PubChemData

Smile

CCNC(CC1=C(C=NC=C1)Cl)C2=CC(=C(C=C2)I)Cl

DOS

IR

Vibrations