Geometry & MOs

Info

ID:	314076
PubChem CID:	126620337
Reduced:	NO6C21H23 (1)
Stoich.:	AB6C21D23 (1)
Weight, g/mol:	311.138225
ΔH_f, kcal/mol:	-140.13
Dipole, Da:	6.96
IP(EA), eV:	-9.34(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(2-amino-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-6-yl)propyl]benzamide

Drug info:

PubChemData

Smile

CCOC(=O)C(C(CC(=O)C1=CC=C(C=C1)OC)C2=CC=CC(=C2)C)[N+](=O)[O-]

DOS

IR

Vibrations