Geometry & MOs

Info

ID:	36998
PubChem CID:	8016031
Reduced:	NO4C26H29 (1)
Stoich.:	AB4C26D29 (1)
Weight, g/mol:	385.152537
ΔH_f, kcal/mol:	-126.53
Dipole, Da:	6.37
IP(EA), eV:	-9.06(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-[2-[4-methyl-7-(2-methylprop-2-enoxy)-2-oxochromen-3-yl]acetyl]pyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C(=O)OC2=C1C=CC(=C2)OCC(=C)C)CC(=O)N[C@H](C)CCC3=CC=CC=C3

DOS

IR

Vibrations