Geometry & MOs

Info

ID:	311513
PubChem CID:	126592986
Reduced:	N4O4C19H30 (1)
Stoich.:	A4B4C19D30 (1)
Weight, g/mol:	241.167794
ΔH_f, kcal/mol:	-175.4
Dipole, Da:	6.06
IP(EA), eV:	-8.56(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2R,6S)-4-formyl-2,6-dimethylpiperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1(CC1)CN(C2=NC=C(C=C2)N)C(=O)OC(C)(C)C

DOS

IR

Vibrations