Geometry & MOs

Info

ID:	202159
PubChem CID:	79637831
Reduced:	IO2N3C13H20 (1)
Stoich.:	AB2C3D13E20 (1)
Weight, g/mol:	297.114713
ΔH_f, kcal/mol:	-53.43
Dipole, Da:	4.96
IP(EA), eV:	-9.28(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(ethylamino)-3-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)NC1(CCCC(C1)N2C=C(C=N2)I)C(=O)O

DOS

IR

Vibrations