Geometry & MOs

Info

ID:	41652
PubChem CID:	8146699
Reduced:	O2N3C21H25 (1)
Stoich.:	A2B3C21D25 (1)
Weight, g/mol:	310.119166
ΔH_f, kcal/mol:	-46.1
Dipole, Da:	1.59
IP(EA), eV:	-8.68(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(1S)-1-(furan-2-yl)ethyl]-[(4-oxo-1H-[1]benzofuro[3,2-d]pyrimidin-2-yl)methyl]azanium

Drug info:

PubChemData

Smile

CCN(CC1=CC=CC=C1)CN2C(=O)[C@@H](N(C2=O)C3=CC=C(C=C3)C)C

DOS

IR

Vibrations