Geometry & MOs

Info

ID:	228345
PubChem CID:	87564030
Reduced:	ClION2H12C13 (1)
Stoich.:	ABCD2E12F13 (1)
Weight, g/mol:	405.191323
ΔH_f, kcal/mol:	1.86
Dipole, Da:	3.03
IP(EA), eV:	-9.46(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-cyclopropyl-1,3-dihydrobenzimidazol-2-yl)-9-methyl-6-morpholin-4-ylpurine-8-carbaldehyde

Drug info:

PubChemData

Smile

CC(=O)NC(C)(C1=CC2=C(C=C1)N=C(C=C2)Cl)I

DOS

IR

Vibrations