Geometry & MOs

Info

ID:	263652
PubChem CID:	103386637
Reduced:	SN2O2C12H20 (1)
Stoich.:	AB2C2D12E20 (1)
Weight, g/mol:	245.12766
ΔH_f, kcal/mol:	-78.91
Dipole, Da:	2.43
IP(EA), eV:	-9.26(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methoxy-5-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC(C)(CNC(C)(C)C1=NC=CS1)C(=O)OC

DOS

IR

Vibrations