Geometry & MOs

Info

ID:	54316
PubChem CID:	16986362
Reduced:	N3O4C22H25 (1)
Stoich.:	A3B4C22D25 (1)
Weight, g/mol:	587.351178
ΔH_f, kcal/mol:	-109.77
Dipole, Da:	3.82
IP(EA), eV:	-9.01(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]pentyl]-2-(4-phenylphenyl)acetamide

Drug info:

PubChemData

Smile

CCOC(=O)CN1C2=CC=CC=C2N=C1CCCNC(=O)COC3=CC=CC=C3

DOS

IR

Vibrations