Geometry & MOs

Info

ID:	138348
PubChem CID:	52352676
Reduced:	O2N3H19C23 (1)
Stoich.:	A2B3C19D23 (1)
Weight, g/mol:	369.147727
ΔH_f, kcal/mol:	77.63
Dipole, Da:	7.45
IP(EA), eV:	-9.03(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[[(1S)-2,3-dihydro-1H-inden-1-yl]-prop-2-ynylamino]methyl]-1H-[1]benzofuro[3,2-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C#CCN(CC1=NC(=O)C2=C(N1)C3=CC=CC=C3O2)[C@@H]4CCC5=CC=CC=C45

DOS

IR

Vibrations