Geometry & MOs

Info

ID:	447649
PubChem CID:	135284459
Reduced:	ON5C21H25 (1)
Stoich.:	AB5C21D25 (1)
Weight, g/mol:	311.140055
ΔH_f, kcal/mol:	42.47
Dipole, Da:	6.37
IP(EA), eV:	-9.35(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[(4-chloropyridin-2-yl)amino]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=NC2=NC=CC(=C2N1)C3=CC(=C(C=C3)OCC(C)(CC(C)C)N)C#N

DOS

IR

Vibrations