Geometry & MOs

Info

ID:	406278
PubChem CID:	135077116
Reduced:	O7C16H26 (1)
Stoich.:	A7B16C26 (1)
Weight, g/mol:	186.115698
ΔH_f, kcal/mol:	-333.74
Dipole, Da:	1.8
IP(EA), eV:	-10.56(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(E)-pent-3-enyl]benzimidazole

Drug info:

PubChemData

Smile

CCOC(=O)C(C(=C)C(=O)OC(C)(C)C)OC(=O)OC(C)(C)C

DOS

IR

Vibrations