Geometry & MOs

Info

ID:	410791
PubChem CID:	135083592
Reduced:	ClON2H7C9 (1)
Stoich.:	ABC2D7E9 (1)
Weight, g/mol:	216.015349
ΔH_f, kcal/mol:	28.86
Dipole, Da:	3.78
IP(EA), eV:	-9.2(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chlorophenyl)-2,2-difluorobut-3-yn-1-ol

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3C(O2)C(=NN3)Cl

DOS

IR

Vibrations