Geometry & MOs

Info

ID:	37051
PubChem CID:	8016419
Reduced:	ON2C22H30 (1)
Stoich.:	AB2C22D30 (1)
Weight, g/mol:	398.160363
ΔH_f, kcal/mol:	-19.36
Dipole, Da:	3.56
IP(EA), eV:	-8.54(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(2R)-1-[2-(2,2,6-trimethyl-8-oxo-3,4-dihydropyrano[3,2-g]chromen-7-yl)acetyl]pyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(C)C)OCCN2CCCC[C@@H]2C3=CN=CC=C3

DOS

IR

Vibrations