Geometry & MOs

Info

ID:	393206
PubChem CID:	135019731
Reduced:	N2C21H24 (1)
Stoich.:	A2B21C24 (1)
Weight, g/mol:	320.125988
ΔH_f, kcal/mol:	89.07
Dipole, Da:	4.52
IP(EA), eV:	-9.16(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2S)-8-hydroxy-7-methoxy-4-oxo-2-[(E)-pent-1-enyl]-2,3-dihydrochromen-5-yl]acetic acid

Drug info:

PubChemData

Smile

CC[C@H](CC=C)N(CC#N)C(C1=CC=CC=C1)C2=CC=CC=C2

DOS

IR

Vibrations