Geometry & MOs

Info

ID:	242923
PubChem CID:	99214321
Reduced:	O3F4N4H16C20 (1)
Stoich.:	A3B4C4D16E20 (1)
Weight, g/mol:	482.25292
ΔH_f, kcal/mol:	-230.7
Dipole, Da:	5.74
IP(EA), eV:	-9.02(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-anilino-4-[[4-[methoxycarbonyl(methyl)amino]phenyl]carbamoyl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CN(C1=CC=C(C=C1)NC(=O)C2=C(N(N=C2)C3=CC=C(C=C3)F)C(F)(F)F)C(=O)OC

DOS

IR

Vibrations