Geometry & MOs

Info

ID:	142188
PubChem CID:	52998140
Reduced:	NO5C27H37 (1)
Stoich.:	AB5C27D37 (1)
Weight, g/mol:	440.223056
ΔH_f, kcal/mol:	-198.46
Dipole, Da:	3.02
IP(EA), eV:	-8.93(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-tert-butylphenoxy)-3-(2-cyclohex-3-en-1-ylbenzimidazol-1-yl)propan-2-ol;hydrochloride

Drug info:

PubChemData

Smile

CCCCC1(C(C(NC(C1CCC)C2=CC=CC=C2)C3=CC=CC=C3)C)O.C(=O)(C(=O)O)O

DOS

IR

Vibrations