Geometry & MOs

Info

ID:	256369
PubChem CID:	103138809
Reduced:	BrNOC15H22 (1)
Stoich.:	ABCD15E22 (1)
Weight, g/mol:	283.99605
ΔH_f, kcal/mol:	-41.05
Dipole, Da:	3.34
IP(EA), eV:	-9.04(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-bromo-4-fluorophenyl)-(1-methylpyrazol-3-yl)methanol

Drug info:

PubChemData

Smile

CC1CCC(O1)CC(CNC)C2=CC=C(C=C2)Br

DOS

IR

Vibrations