Geometry & MOs

Info

ID:	22236
PubChem CID:	596357
Reduced:	ClO3N6H13C14 (1)
Stoich.:	AB3C6D13E14 (1)
Weight, g/mol:	348.073766
ΔH_f, kcal/mol:	9.71
Dipole, Da:	6.02
IP(EA), eV:	-9.26(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1C2=C(CN1C(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl)C(=NC(=N2)N)N

DOS

IR

Vibrations