Geometry & MOs

Info

ID:	185358
PubChem CID:	77289049
Reduced:	O3C20H32 (1)
Stoich.:	A3B20C32 (1)
Weight, g/mol:	518.192961
ΔH_f, kcal/mol:	-183.69
Dipole, Da:	3.68
IP(EA), eV:	-9.48(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-[3-[1-(3,5-difluorophenyl)-2-fluoro-2-methylpropyl]azetidin-1-yl]-3-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl]methyl]benzonitrile

Drug info:

PubChemData

Smile

CC1CC23CCC1CC2C4(C(CC3)C(CC(C4=O)(O)O)(C)C)C

DOS

IR

Vibrations