Geometry & MOs

Info

ID:	396742
PubChem CID:	135029121
Reduced:	N2C23H29 (1)
Stoich.:	A2B23C29 (1)
Weight, g/mol:	286.039672
ΔH_f, kcal/mol:	41.42
Dipole, Da:	1.85
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.756197
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chlorophenyl)-2-hydroxy-5-phenylfuran-3-one

Drug info:

PubChemData

Smile

C[C@@H]1CCC[N+]1=C[C@H](C)C2C3=CC=CC=C3CCN2C4=CC=CC=C4

DOS

IR

Vibrations