Geometry & MOs

Info

ID:	140526
PubChem CID:	52715102
Reduced:	O3N6C26H26 (1)
Stoich.:	A3B6C26D26 (1)
Weight, g/mol:	367.213401
ΔH_f, kcal/mol:	36.63
Dipole, Da:	12.44
IP(EA), eV:	-8.91(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

dimethyl-[2-[2-[2-(2-methylbenzimidazol-1-yl)ethylcarbamoyl]phenoxy]ethyl]azanium

Drug info:

PubChemData

Smile

CN(C)CCOC1=CC=CC=C1C(=O)NNC(=O)C2=NN(C(=N2)C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations