Geometry & MOs

Info

ID:	314983
PubChem CID:	126624101
Reduced:	SO3N4C29H44 (1)
Stoich.:	AB3C4D29E44 (1)
Weight, g/mol:	346.142976
ΔH_f, kcal/mol:	-113.72
Dipole, Da:	4.5
IP(EA), eV:	-8.41(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-methoxyphenyl)methyl]-5-(2-methylpyrimidin-5-yl)-1H-benzimidazol-2-one

Drug info:

PubChemData

Smile

CCN(C1CCC(CC1)N(C)CCOC)C2=C(C3=C(S2)CCN(C3=O)CC4=C(N=C(C=C4C)C)OC)C

DOS

IR

Vibrations