Geometry & MOs

Info

ID:	163459
PubChem CID:	57983878
Reduced:	NH18C26 (2)
Stoich.:	AB18C26 (2)
Weight, g/mol:	386.181727
ΔH_f, kcal/mol:	222.64
Dipole, Da:	0.29
IP(EA), eV:	-7.98(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C=CC2=C1)N(C3=CC4=CC=CC=C4C=C3)C5=CC=CC(=C5)C6=CC(=CC=C6)N(C7=CC8=CC=CC=C8C=C7)C9=CC1=CC=CC=C1C=C9

DOS

IR

Vibrations