Geometry & MOs

Info

ID:	261094
PubChem CID:	103217115
Reduced:	BrClION2C13H13 (1)
Stoich.:	ABCDE2F13G13 (1)
Weight, g/mol:	405.9945
ΔH_f, kcal/mol:	20.24
Dipole, Da:	3.12
IP(EA), eV:	-9.51(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-chloro-4-iodophenyl)-(4-methoxy-2-propan-2-ylpyrazol-3-yl)methanol

Drug info:

PubChemData

Smile

CCCN1C(=C(C=N1)Br)C(C2=CC(=C(C=C2)I)Cl)O

DOS

IR

Vibrations