Geometry & MOs

Info

ID:	45784
PubChem CID:	10517620
Reduced:	ON2H18C19 (1)
Stoich.:	AB2C18D19 (1)
Weight, g/mol:	290.188195
ΔH_f, kcal/mol:	30.28
Dipole, Da:	6.42
IP(EA), eV:	-9.09(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethoxy-7a-methoxy-4-(4-methylphenyl)-3,3a,4,5,6,7-hexahydro-2H-1-benzofuran

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[C@]2(C[C@@H](C(=C2N)C#N)C3=CC=CC=C3)O

DOS

IR

Vibrations