Geometry & MOs

Info

ID:	148369
PubChem CID:	53788031
Reduced:	OC5H8 (4)
Stoich.:	AB5C8 (4)
Weight, g/mol:	378.157957
ΔH_f, kcal/mol:	-100.7
Dipole, Da:	7.92
IP(EA), eV:	-9.63(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[2-(3-ethoxy-4-prop-2-enoxyphenyl)ethenyl]-1H-benzimidazole-4-carboxylate

Drug info:

PubChemData

Smile

CCCCCCCCC=CCC=CC=C[C@H](CC=CC(=O)O)OO

DOS

IR

Vibrations