Geometry & MOs

Info

ID:	154719
PubChem CID:	56314231
Reduced:	FN4O4H21C26 (1)
Stoich.:	AB4C4D21E26 (1)
Weight, g/mol:	421.186478
ΔH_f, kcal/mol:	-67.74
Dipole, Da:	1.85
IP(EA), eV:	-8.46(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CN=C1)OC2=C(C=C(C=C2)/C=C/C(=O)NC3=CC=C(C=C3)NC(=O)NCC4=CC=CO4)F

DOS

IR

Vibrations