Geometry & MOs

Info

ID:	48061
PubChem CID:	10536891
Reduced:	N2O3C11H12 (1)
Stoich.:	A2B3C11D12 (1)
Weight, g/mol:	220.109944
ΔH_f, kcal/mol:	-37.63
Dipole, Da:	3.48
IP(EA), eV:	-9.78(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(1R)-3,4-dihydro-1H-isochromen-1-yl]acetate

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)C2=C(C(=NO2)OC)CO

DOS

IR

Vibrations