Geometry & MOs

Info

ID:	270071
PubChem CID:	103625962
Reduced:	ON2C8H14 (2)
Stoich.:	AB2C8D14 (2)
Weight, g/mol:	315.194677
ΔH_f, kcal/mol:	-98.94
Dipole, Da:	3.34
IP(EA), eV:	-9.28(0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[(3-cyanophenyl)methylamino]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(CN1C=CN=C1)NC2CCCN(C2)C(=O)OC(C)(C)C

DOS

IR

Vibrations