Geometry & MOs

Info

ID:	405874
PubChem CID:	135075766
Reduced:	NO3C13H15 (1)
Stoich.:	AB3C13D15 (1)
Weight, g/mol:	246.125594
ΔH_f, kcal/mol:	-112.8
Dipole, Da:	6.61
IP(EA), eV:	-8.85(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2Z)-2-(3,3-dimethyl-4H-isochromen-1-ylidene)acetate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=CC2=C1N(CC2)C(=O)C

DOS

IR

Vibrations