Geometry & MOs

Info

ID:	184668
PubChem CID:	77190588
Reduced:	N4O5C24H26 (1)
Stoich.:	A4B5C24D26 (1)
Weight, g/mol:	511.18344
ΔH_f, kcal/mol:	-110.44
Dipole, Da:	6.37
IP(EA), eV:	-8.31(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-bromophenyl)-1-[3-[1-(3-methoxypropyl)benzimidazol-2-yl]piperidin-1-yl]-3-methylbutan-1-one

Drug info:

PubChemData

Smile

CN1C2CCC1CC(C2)OC3=NN=C(C=C3)C4=C5C=CNC5=CC=C4.C(=CC(=O)O)C(=O)O

DOS

IR

Vibrations