Geometry & MOs

Info

ID:	313618
PubChem CID:	126616706
Reduced:	Cl2N3O4H35C37 (1)
Stoich.:	A2B3C4D35E37 (1)
Weight, g/mol:	595.179333
ΔH_f, kcal/mol:	-85.31
Dipole, Da:	1.56
IP(EA), eV:	-9.14(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[[3-[6-[bis(4-chlorophenyl)methyl]-2-cyclopropylbenzimidazol-1-yl]azetidin-1-yl]methyl]benzoate

Drug info:

PubChemData

Smile

COC(=O)C1=CC=CC(=C1)CN2CCC(CC2)N3C4=C(C=CC(=C4)C(C5=CC=C(C=C5)Cl)C6=CC=C(C=C6)Cl)N=C3CCC(=O)O

DOS

IR

Vibrations