Geometry & MOs

Info

ID:	72274
PubChem CID:	48415994
Reduced:	O2N5C23H25 (1)
Stoich.:	A2B5C23D25 (1)
Weight, g/mol:	356.221226
ΔH_f, kcal/mol:	16.51
Dipole, Da:	3.46
IP(EA), eV:	-9.04(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-N-methyl-2-(2-oxoazocan-1-yl)acetamide

Drug info:

PubChemData

Smile

CN1C=CN=C1COC2=CC=C(C=C2)C(=O)N(C)CCCC3=NC4=CC=CC=C4N3

DOS

IR

Vibrations