Geometry & MOs

Info

ID:	433226
PubChem CID:	135173363
Reduced:	N2O4C21H24 (1)
Stoich.:	A2B4C21D24 (1)
Weight, g/mol:	383.184506
ΔH_f, kcal/mol:	-99.53
Dipole, Da:	8.24
IP(EA), eV:	-9.2(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[6-(1,3-dihydroisoindol-2-ylmethyl)-4-oxopyran-3-yl]oxymethyl]piperidine-1-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1COC2=COC(=CC2=O)CN3CC4=CC=CC=C4C3)C=O

DOS

IR

Vibrations