Geometry & MOs

Info

ID:	189140
PubChem CID:	77822704
Reduced:	ON8C34H40 (1)
Stoich.:	AB8C34D40 (1)
Weight, g/mol:	478.207942
ΔH_f, kcal/mol:	130.63
Dipole, Da:	4.59
IP(EA), eV:	-8.56(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-hydroxy-4-(3-phenylphenyl)-5-(2,2,2-trifluoroethylcarbamoyl)piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(CC1(C2=C(CCC3=C1C=CC(=C3)C(=O)NC)C=C(C=C2)C(=C)NC)C4=NC=NN4)NCC(=C)N5C(CC6C5C6)C#N

DOS

IR

Vibrations