Geometry & MOs

Info

ID:	220609
PubChem CID:	85197960
Reduced:	ClON4H11C18 (1)
Stoich.:	ABC4D11E18 (1)
Weight, g/mol:	338.13789
ΔH_f, kcal/mol:	122.99
Dipole, Da:	1.2
IP(EA), eV:	-9.76(-2.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[1-(2,4-diaminofuro[2,3-d]pyrimidin-5-yl)prop-1-en-2-yl]benzoate

Drug info:

PubChemData

Smile

CC1=NC2=CC=CC=C2C1=C3C(=O)N=C(N=N3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations