Geometry & MOs

Info

ID:	136094
PubChem CID:	51977924
Reduced:	ClO2N3C18H24 (1)
Stoich.:	AB2C3D18E24 (1)
Weight, g/mol:	391.23904
ΔH_f, kcal/mol:	-59.43
Dipole, Da:	2.26
IP(EA), eV:	-8.83(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butyl-N-[3-[6-chloro-2-[(2R)-oxolan-2-yl]benzimidazol-1-yl]propyl]butan-1-amine

Drug info:

PubChemData

Smile

C1C[C@@H](OC1)C2=NC3=C(N2CCCN4CCOCC4)C=C(C=C3)Cl

DOS

IR

Vibrations