Geometry & MOs

Info

ID:	256303
PubChem CID:	103138325
Reduced:	NOC17H27 (1)
Stoich.:	ABC17D27 (1)
Weight, g/mol:	333.99286
ΔH_f, kcal/mol:	-58.26
Dipole, Da:	2.15
IP(EA), eV:	-8.94(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-bromo-3-(trifluoromethyl)phenyl]-(1-methylpyrazol-3-yl)methanol

Drug info:

PubChemData

Smile

CC1CCC(O1)CC(CC2=CC=CC=C2C)CNC

DOS

IR

Vibrations