Geometry & MOs

Info

ID:	154751
PubChem CID:	56314267
Reduced:	FO2N5H20C27 (1)
Stoich.:	AB2C5D20E27 (1)
Weight, g/mol:	427.244662
ΔH_f, kcal/mol:	46.44
Dipole, Da:	5.37
IP(EA), eV:	-9.01(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]-1-propylpiperidine-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=CN2C3=NC=C(C=C3)CNC(=O)/C=C/C4=CC(=C(C=C4)OC5=CN=CC=C5)F

DOS

IR

Vibrations