Geometry & MOs

Info

ID:	304311
PubChem CID:	124517275
Reduced:	NO4C12H21 (1)
Stoich.:	AB4C12D21 (1)
Weight, g/mol:	342.194343
ΔH_f, kcal/mol:	-213.42
Dipole, Da:	6.51
IP(EA), eV:	-9.96(0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3aS,4R,7aR)-4-[furan-2-ylmethyl(methyl)amino]-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-(3-methylfuran-2-yl)methanone

Drug info:

PubChemData

Smile

CC(C)[C@H](C(=O)O)NC(=O)C[C@@H]1CCCCO1

DOS

IR

Vibrations