Geometry & MOs

Info

ID:	84465
PubChem CID:	49866519
Reduced:	O4C25H30 (1)
Stoich.:	A4B25C30 (1)
Weight, g/mol:	282.111676
ΔH_f, kcal/mol:	-156.45
Dipole, Da:	5.51
IP(EA), eV:	-8.86(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC2=C(C=C1C3=C(C=CC(=C3)/C=C/C(=O)O)O)C(CCC2(C)C)(C)C

DOS

IR

Vibrations