Geometry & MOs

Info

ID:	20011
PubChem CID:	576820
Reduced:	BrN2O2C19H19 (1)
Stoich.:	AB2C2D19E19 (1)
Weight, g/mol:	386.06299
ΔH_f, kcal/mol:	-25.02
Dipole, Da:	3.72
IP(EA), eV:	-9.43(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(4-bromophenyl)-3-ethyl-5-hydroxy-4H-pyrazol-1-yl]-(2-methylphenyl)methanone

Drug info:

PubChemData

Smile

CCC1=NN(C(C1)(C2=CC=C(C=C2)Br)O)C(=O)C3=CC=CC=C3C

DOS

IR

Vibrations