Geometry & MOs

Info

ID:	221469
PubChem CID:	85273742
Reduced:	ClON5C14H20 (1)
Stoich.:	ABC5D14E20 (1)
Weight, g/mol:	310.10659
ΔH_f, kcal/mol:	-8.43
Dipole, Da:	4.15
IP(EA), eV:	-9.04(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(C(CCC1CO)CN2C=NC3=C2N=C(N=C3Cl)N)C

DOS

IR

Vibrations