Geometry & MOs

Info

ID:	329235
PubChem CID:	126732832
Reduced:	ClO2C21H23 (1)
Stoich.:	AB2C21D23 (1)
Weight, g/mol:	555.174327
ΔH_f, kcal/mol:	-72.69
Dipole, Da:	5.44
IP(EA), eV:	-9.26(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butyl 5-cyclopropyl-4-[[1-[(3,4-dichlorophenyl)-phenylmethyl]azetidin-3-yl]methoxy]-2-fluorobenzoate

Drug info:

PubChemData

Smile

CC(C)[C@H]1[C@H](CC2=C(C=CC=C12)CCC(=O)C3=CC(=CC=C3)Cl)O

DOS

IR

Vibrations