Geometry & MOs

Info

ID:	154738
PubChem CID:	56314254
Reduced:	FO2N4H21C25 (1)
Stoich.:	AB2C4D21E25 (1)
Weight, g/mol:	421.186478
ΔH_f, kcal/mol:	23.29
Dipole, Da:	4.71
IP(EA), eV:	-9.32(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]-1-[2-(3-methylphenyl)pyrrolidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)CN2C=CC=N2)CNC(=O)/C=C/C3=CC(=C(C=C3)OC4=CN=CC=C4)F

DOS

IR

Vibrations