Geometry & MOs

Info

ID:	200716
PubChem CID:	79431165
Reduced:	BrON2C17H17 (1)
Stoich.:	ABC2D17E17 (1)
Weight, g/mol:	370.04475
ΔH_f, kcal/mol:	26.77
Dipole, Da:	4.78
IP(EA), eV:	-8.75(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromophenyl)-3-(4-chloro-2,5-diethylpyrazol-3-yl)propan-1-ol

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C(=N1)CC(CO)C3=CC(=CC=C3)Br

DOS

IR

Vibrations