Geometry & MOs

Info

ID:	413920
PubChem CID:	135086871
Reduced:	NOC7H8 (2)
Stoich.:	ABC7D8 (2)
Weight, g/mol:	364.06741
ΔH_f, kcal/mol:	5.48
Dipole, Da:	2.92
IP(EA), eV:	-7.89(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,6R,7R,7aR)-5-bromo-7-ethenyl-6-(phenylmethoxymethyl)-1,3,3a,6,7,7a-hexahydro-2-benzofuran-1-ol

Drug info:

PubChemData

Smile

C/C(=N\O)/C1=C(C2=CC=CC=C2N1C)/C=C/OC

DOS

IR

Vibrations