Geometry & MOs

Info

ID:	153989
PubChem CID:	56313348
Reduced:	NF3O5C25H26 (1)
Stoich.:	AB3C5D25E26 (1)
Weight, g/mol:	442.207942
ΔH_f, kcal/mol:	-286.99
Dipole, Da:	5.47
IP(EA), eV:	-8.79(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(cyclopropylmethyl)-1-[3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]propanoyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)CCC(=O)NCC2=CC(=CC=C2)COCC3=CC=CO3)OCC(F)(F)F

DOS

IR

Vibrations