Geometry & MOs

Info

ID:	50021
PubChem CID:	11538793
Reduced:	N2O5C23H26 (1)
Stoich.:	A2B5C23D26 (1)
Weight, g/mol:	410.163043
ΔH_f, kcal/mol:	-145.61
Dipole, Da:	5.97
IP(EA), eV:	-8.54(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9H-fluoren-9-ylmethyl (2S)-2-(1,3-benzoxazol-2-yl)pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CCOC1=C(C=C2C(=C1)C3CC(CCC3N=C2C4=CN=C(C=C4)C(=O)OC)O)OC

DOS

IR

Vibrations