Geometry & MOs

Info

ID:	23767
PubChem CID:	606015
Reduced:	ClON5C15H16 (1)
Stoich.:	ABC5D15E16 (1)
Weight, g/mol:	317.104338
ΔH_f, kcal/mol:	1.72
Dipole, Da:	5.1
IP(EA), eV:	-9.1(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chlorophenyl)-1-(2,4-diamino-7-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)ethanone

Drug info:

PubChemData

Smile

CC1C2=C(CN1C(=O)CC3=CC=C(C=C3)Cl)C(=NC(=N2)N)N

DOS

IR

Vibrations