Geometry & MOs

Info

ID:	154625
PubChem CID:	56314101
Reduced:	FN2O2H21C24 (1)
Stoich.:	AB2C2D21E24 (1)
Weight, g/mol:	448.172225
ΔH_f, kcal/mol:	-23.46
Dipole, Da:	5.39
IP(EA), eV:	-9.22(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]propanoyl]piperazin-1-yl]pyridine-4-carbonitrile

Drug info:

PubChemData

Smile

C1CC(N(C1)C(=O)/C=C/C2=CC(=C(C=C2)OC3=CN=CC=C3)F)C4=CC=CC=C4

DOS

IR

Vibrations