Geometry & MOs

Info

ID:	41654
PubChem CID:	8146706
Reduced:	O2N3C19H27 (1)
Stoich.:	A2B3C19D27 (1)
Weight, g/mol:	309.111341
ΔH_f, kcal/mol:	-83.32
Dipole, Da:	1.83
IP(EA), eV:	-8.94(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[[(1R)-1-(furan-2-yl)ethyl]amino]methyl]-1H-[1]benzofuro[3,2-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CCN(CC1=CC=CC=C1)CN2C(=O)C3(CCC(CC3)C)NC2=O

DOS

IR

Vibrations