Geometry & MOs

Info

ID:	40671
PubChem CID:	8144501
Reduced:	O2N7C22H25 (1)
Stoich.:	A2B7C22D25 (1)
Weight, g/mol:	370.158923
ΔH_f, kcal/mol:	44.93
Dipole, Da:	5.36
IP(EA), eV:	-8.57(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-(4-ethoxyphenyl)-3-(morpholin-4-ium-4-ylmethyl)benzimidazole-2-thione

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)/C=N\NC2=NC(=NC(=N2)NC3=CC=CC=C3)N4CCCC4)O

DOS

IR

Vibrations