Geometry & MOs

Info

ID:	295533
PubChem CID:	117532518
Reduced:	OCl2N3H7C11 (1)
Stoich.:	AB2C3D7E11 (1)
Weight, g/mol:	244.096026
ΔH_f, kcal/mol:	20.33
Dipole, Da:	3.72
IP(EA), eV:	-9.62(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(aminomethyl)-2-(1,3-benzodioxol-5-yl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C2=NC=C(C(=N2)N)C=O)Cl)Cl

DOS

IR

Vibrations