Geometry & MOs

Info

ID:	309340
PubChem CID:	126545457
Reduced:	O2N7C21H35 (1)
Stoich.:	A2B7C21D35 (1)
Weight, g/mol:	398.209324
ΔH_f, kcal/mol:	-94.35
Dipole, Da:	3.08
IP(EA), eV:	-9.12(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-[2-[(6R,7aR)-6-but-3-en-2-yl-5-oxo-2,3,6,7-tetrahydro-1-benzofuran-7a-yl]propyl]-2-methoxyphenyl] acetate

Drug info:

PubChemData

Smile

CC1CC2CC(C1)OC(C2)(C)NC(=O)NC3CCN(CC3)C4=NC(=NC(=N4)NC)C

DOS

IR

Vibrations