Geometry & MOs

Info

ID:	310375
PubChem CID:	126579442
Reduced:	ClION4H6C8 (1)
Stoich.:	ABCD4E6F8 (1)
Weight, g/mol:	324.01095
ΔH_f, kcal/mol:	71.26
Dipole, Da:	0.45
IP(EA), eV:	-9.9(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-2-[(1-hydroxypyrazol-3-yl)oxymethyl]benzoyl bromide

Drug info:

PubChemData

Smile

CN1C(=O)N(N=N1)C2=C(C(=CC=C2)Cl)I

DOS

IR

Vibrations