Geometry & MOs

Info

ID:	188648
PubChem CID:	77747481
Reduced:	FIOC11H12 (1)
Stoich.:	ABCD11E12 (1)
Weight, g/mol:	415.149183
ΔH_f, kcal/mol:	-74.6
Dipole, Da:	3.04
IP(EA), eV:	-9.26(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

acetic acid;4-[ethyl-[3-(6-oxo-8H-purin-9-yl)propanoyl]amino]benzoic acid

Drug info:

PubChemData

Smile

CC1(C2=C(C=CC(=C2)F)C(O1)(C)I)C

DOS

IR

Vibrations