Geometry & MOs

Info

ID:	26951
PubChem CID:	804856
Reduced:	NO3C14H17 (1)
Stoich.:	AB3C14D17 (1)
Weight, g/mol:	272.060407
ΔH_f, kcal/mol:	-124.69
Dipole, Da:	2.63
IP(EA), eV:	-8.47(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(2-chlorophenyl)-6-methyl-2,3-dihydrochromen-4-one

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N2C[C@H](CC2=O)C(=O)OC)C

DOS

IR

Vibrations