Geometry & MOs

Info

ID:	79804
PubChem CID:	49830521
Reduced:	O2N7H13C17 (1)
Stoich.:	A2B7C13D17 (1)
Weight, g/mol:	506.300539
ΔH_f, kcal/mol:	56.72
Dipole, Da:	5.12
IP(EA), eV:	-8.86(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexyl-4-[(8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl)amino]-3-methoxybenzamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=O)O)NC2=NC=NC(=N2)NC3=CC4=C(C=C3)C=NN4

DOS

IR

Vibrations