Geometry & MOs

Info

ID:	431518
PubChem CID:	135171599
Reduced:	NOH16C27 (2)
Stoich.:	ABC16D27 (2)
Weight, g/mol:	332.041564
ΔH_f, kcal/mol:	184.87
Dipole, Da:	3.93
IP(EA), eV:	-7.92(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2-[2,5-difluoro-4-(2-hydroxyphenyl)phenyl]phenol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)C4=CC5=C(C=C4)N(C6=CC=CC=C65)C7=CC=C(C=C7)C8=C9C(=CC1=C8OC3=CC=CC=C31)C1=CC=CC=C1O9)C1=CC=CC=C12

DOS

IR

Vibrations