Geometry & MOs

Info

ID:	445385
PubChem CID:	135266679
Reduced:	O3N5C25H33 (1)
Stoich.:	A3B5C25D33 (1)
Weight, g/mol:	341.210327
ΔH_f, kcal/mol:	-77.0
Dipole, Da:	8.98
IP(EA), eV:	-8.22(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(6-cyanobenzimidazol-1-yl)methyl]-4-methyloctyl] acetate

Drug info:

PubChemData

Smile

C[C@@]1(CCCC(C1)(C)CN(C2=NC=C(C=C2)OC)C(=O)O)CN3C=NC4=C3C=C(C=C4)NC

DOS

IR

Vibrations