Geometry & MOs

Info

ID:	280841
PubChem CID:	103851561
Reduced:	ON2C7H13 (2)
Stoich.:	AB2C7D13 (2)
Weight, g/mol:	315.194677
ΔH_f, kcal/mol:	-89.04
Dipole, Da:	5.17
IP(EA), eV:	-8.96(0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[(2-cyanophenyl)methylamino]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=NN1C)CNCCCNC(=O)OC(C)(C)C

DOS

IR

Vibrations