Geometry & MOs

Info

ID:	25626
PubChem CID:	627591
Reduced:	OC10H16 (2)
Stoich.:	AB10C16 (2)
Weight, g/mol:	347.126991
ΔH_f, kcal/mol:	-149.19
Dipole, Da:	2.84
IP(EA), eV:	-9.63(0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-ethoxyphenyl] acetate

Drug info:

PubChemData

Smile

CC1(C2CCC3C(C2CCC1=O)CCC4(C3CCC4O)C)C

DOS

IR

Vibrations