Geometry & MOs

Info

ID:	412193
PubChem CID:	135085068
Reduced:	NO3C21H33 (1)
Stoich.:	AB3C21D33 (1)
Weight, g/mol:	438.103634
ΔH_f, kcal/mol:	-157.84
Dipole, Da:	3.72
IP(EA), eV:	-8.43(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,8bS)-2-[6-[(3aR,8bS)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]pyridin-2-yl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole;scandium

Drug info:

PubChemData

Smile

CC(C)(C)C1=C/C(=C/N[C@H](C(=O)O)C(C)(C)C)/C(=O)C(=C1)C(C)(C)C

DOS

IR

Vibrations