Geometry & MOs

Info

ID:	84827
PubChem CID:	49870209
Reduced:	O3N7C22H23 (1)
Stoich.:	A3B7C22D23 (1)
Weight, g/mol:	428.180818
ΔH_f, kcal/mol:	-38.38
Dipole, Da:	3.05
IP(EA), eV:	-9.31(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)pyridine-2-carbonyl]amino]acetate

Drug info:

PubChemData

Smile

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=CN=C(C=C3)C(=O)NC4=CN=CC=C4

DOS

IR

Vibrations