Geometry & MOs

Info

ID:	426617
PubChem CID:	135152154
Reduced:	FNO3H14C15 (1)
Stoich.:	ABC3D14E15 (1)
Weight, g/mol:	384.168522
ΔH_f, kcal/mol:	-111.38
Dipole, Da:	4.75
IP(EA), eV:	-9.42(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[[6-(1,3-dihydroisoindol-2-ylmethyl)-4-oxopyran-3-yl]oxymethyl]cyclopentyl]carbamic acid

Drug info:

PubChemData

Smile

C1CN(CC2=C1C=C(C=C2)F)CC3=CC(=O)C(=CO3)O

DOS

IR

Vibrations