Geometry & MOs

Info

ID:	343498
PubChem CID:	127266671
Reduced:	SO2N5C14H15 (1)
Stoich.:	AB2C5D14E15 (1)
Weight, g/mol:	341.148789
ΔH_f, kcal/mol:	1.59
Dipole, Da:	1.72
IP(EA), eV:	-9.39(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]methyl]-3H-benzimidazole-5-carboxylate

Drug info:

PubChemData

Smile

CCC1=NSC(=N1)NCC2=NC3=C(N2)C=C(C=C3)C(=O)OC

DOS

IR

Vibrations