Geometry & MOs

Info

ID:	433480
PubChem CID:	135173617
Reduced:	O5N7H39C42 (1)
Stoich.:	A5B7C39D42 (1)
Weight, g/mol:	340.178693
ΔH_f, kcal/mol:	-42.46
Dipole, Da:	3.85
IP(EA), eV:	-8.68(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[(3R)-3-aminocyclopentyl]methoxy]-2-(1,3-dihydroisoindol-2-ylmethyl)pyran-4-one

Drug info:

PubChemData

Smile

CC1C=NC=CC1C2=NN(C=C2C3=CC4=C(C=C3)C(=O)CC4)C5=CC=C(C=C5)N6CCN(CC6)C7=CC8=C(C=C7)C(=O)N(C8=O)C9CCC(=O)N(C9=O)C

DOS

IR

Vibrations