Geometry & MOs

Info

ID:	68808
PubChem CID:	46509132
Reduced:	ClON5C23H28 (1)
Stoich.:	ABC5D23E28 (1)
Weight, g/mol:	432.161997
ΔH_f, kcal/mol:	17.65
Dipole, Da:	5.22
IP(EA), eV:	-9.05(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanone

Drug info:

PubChemData

Smile

CC1=NN(C(=C1/C=C/C(=O)N2CCCC(C2)C3=NC4=CC=CC=C4N3)Cl)CC(C)C

DOS

IR

Vibrations