Geometry & MOs

Info

ID:	394597
PubChem CID:	135023271
Reduced:	O3C6H10 (2)
Stoich.:	A3B6C10 (2)
Weight, g/mol:	163.074356
ΔH_f, kcal/mol:	-278.89
Dipole, Da:	2.87
IP(EA), eV:	-9.96(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(deuteriomethyl)-2,3-dihydrochromen-4-one

Drug info:

PubChemData

Smile

CC1(OC[C@@H](O1)[C@H]([C@H]2C(=O)COC(O2)(C)C)O)C

DOS

IR

Vibrations