Geometry & MOs

Info

ID:	79973
PubChem CID:	49831923
Reduced:	FOH8C9 (2)
Stoich.:	ABC8D9 (2)
Weight, g/mol:	283.076392
ΔH_f, kcal/mol:	-113.86
Dipole, Da:	3.23
IP(EA), eV:	-9.05(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-4-(3-chlorophenyl)but-3-yn-2-yl]benzamide

Drug info:

PubChemData

Smile

C1C[C@@H]([C@H](C=C1)OC2=CC=C(C=C2)F)OC3=CC=C(C=C3)F

DOS

IR

Vibrations