Geometry & MOs

Info

ID:	433553
PubChem CID:	135173693
Reduced:	NO3C10H21 (1)
Stoich.:	AB3C10D21 (1)
Weight, g/mol:	420.204907
ΔH_f, kcal/mol:	-127.44
Dipole, Da:	4.56
IP(EA), eV:	-9.29(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[4-[(dimethylamino)methyl]phenyl]methoxy]-2-[(5-methoxy-1,3-dihydroisoindol-2-yl)methyl]pyran-4-one

Drug info:

PubChemData

Smile

CNCC(C=O)OCCCCCOC

DOS

IR

Vibrations