Geometry & MOs

Info

ID:	41108
PubChem CID:	8145265
Reduced:	N3O3C22H25 (1)
Stoich.:	A3B3C22D25 (1)
Weight, g/mol:	390.115047
ΔH_f, kcal/mol:	-51.96
Dipole, Da:	3.85
IP(EA), eV:	-8.82(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-methylamino]methyl]-1H-[1]benzofuro[3,2-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1N2CCN(CC2)CN3C4=C(C=C(C=C4)C)C(=O)C3=O

DOS

IR

Vibrations