Geometry & MOs

Info

ID:	298675
PubChem CID:	117653846
Reduced:	ClON4C19H21 (1)
Stoich.:	ABC4D19E21 (1)
Weight, g/mol:	357.135638
ΔH_f, kcal/mol:	23.05
Dipole, Da:	2.83
IP(EA), eV:	-8.73(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7R)-2-chloro-8-cyclohexyl-7-methyl-5-pyridin-3-yl-7H-pteridin-6-one

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N(C2=CN=C(N=C2N1C3CCCCC3)Cl)C4=CC=CC=C4

DOS

IR

Vibrations