Geometry & MOs

Info

ID:	282962
PubChem CID:	103948558
Reduced:	NOC19H21 (1)
Stoich.:	ABC19D21 (1)
Weight, g/mol:	266.199428
ΔH_f, kcal/mol:	42.6
Dipole, Da:	2.62
IP(EA), eV:	-8.87(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-(pent-4-ynylamino)piperidine-1-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(C2=CC=CC=C2)NCCCC#C

DOS

IR

Vibrations