Geometry & MOs

Info

ID:	288958
PubChem CID:	104328992
Reduced:	BrFO2C16H16 (1)
Stoich.:	ABC2D16E16 (1)
Weight, g/mol:	300.071721
ΔH_f, kcal/mol:	-105.17
Dipole, Da:	5.4
IP(EA), eV:	-9.12(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-chloronaphthalen-1-yl)-(4-fluoro-2-methylphenyl)methanol

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1Br)C(C2=C(C=C(C=C2)F)C)O)OC

DOS

IR

Vibrations