Geometry & MOs

Info

ID:	22264
PubChem CID:	596447
Reduced:	OCl2N5H13C14 (1)
Stoich.:	AB2C5D13E14 (1)
Weight, g/mol:	337.049715
ΔH_f, kcal/mol:	2.83
Dipole, Da:	5.42
IP(EA), eV:	-9.1(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,4-diamino-7-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-(2,5-dichlorophenyl)methanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations