Geometry & MOs

Info

ID:	413443
PubChem CID:	135086392
Reduced:	NO3C18H23 (1)
Stoich.:	AB3C18D23 (1)
Weight, g/mol:	355.139528
ΔH_f, kcal/mol:	-130.06
Dipole, Da:	3.21
IP(EA), eV:	-9.34(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (3E)-2-oxo-3-[[4-(trifluoromethyl)phenyl]methylidene]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)/C=C/2\CCCN(C2=O)C(=O)OC(C)(C)C

DOS

IR

Vibrations