Geometry & MOs

Info

ID:	45471
PubChem CID:	10513950
Reduced:	NO3C4H8 (2)
Stoich.:	AB3C4D8 (2)
Weight, g/mol:	236.104859
ΔH_f, kcal/mol:	-250.55
Dipole, Da:	4.13
IP(EA), eV:	-9.96(0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 7-methoxy-3,4-dihydro-2H-chromene-2-carboxylate

Drug info:

PubChemData

Smile

CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1ON)CO)O)O

DOS

IR

Vibrations