Geometry & MOs

Info

ID:	344246
PubChem CID:	127267422
Reduced:	ON3C11H15 (1)
Stoich.:	AB3C11D15 (1)
Weight, g/mol:	203.094629
ΔH_f, kcal/mol:	10.54
Dipole, Da:	6.11
IP(EA), eV:	-9.13(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dihydro-1H-isochromen-4-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CN1C2=C(CN(CCC2)C(=O)C=C)C=N1

DOS

IR

Vibrations