Geometry & MOs

Info

ID:	83480
PubChem CID:	49857642
Reduced:	F2O2N5H19C20 (1)
Stoich.:	A2B2C5D19E20 (1)
Weight, g/mol:	330.219495
ΔH_f, kcal/mol:	-90.17
Dipole, Da:	5.82
IP(EA), eV:	-8.8(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1S,2R,4aS,8aR)-1-[2-(furan-3-yl)ethyl]-5,5,8a-trimethyl-1,2,4a,6,7,8-hexahydronaphthalene-2-carboxylate

Drug info:

PubChemData

Smile

C1CN2C(=NC(=C2NC3=CC=C(C=C3)F)C4=C(C=C(C=C4)F)O)CN1C(=O)CN

DOS

IR

Vibrations