Geometry & MOs

Info

ID:	264373
PubChem CID:	103458119
Reduced:	O2N3H13C16 (1)
Stoich.:	A2B3C13D16 (1)
Weight, g/mol:	350.06299
ΔH_f, kcal/mol:	41.11
Dipole, Da:	2.93
IP(EA), eV:	-9.9(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-bromo-2,5-diethylpyrazol-3-yl)-1-hydroxy-1-phenylpropan-2-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(C(=O)C2=CN=NN2C3=CC=CC=C3)O

DOS

IR

Vibrations