Geometry & MOs

Info

ID:	297182
PubChem CID:	117612112
Reduced:	NOH29C39 (1)
Stoich.:	ABC29D39 (1)
Weight, g/mol:	300.183778
ΔH_f, kcal/mol:	114.14
Dipole, Da:	1.39
IP(EA), eV:	-7.89(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2S)-5-benzyl-2-cyanopiperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C=C(C=C3)N(C4=CC=C(C=C4)C5=CC=CC=C5)C6=CC7=C(C=C6)OC8=CC=CC=C87)C

DOS

IR

Vibrations