Geometry & MOs

Info

ID:	216681
PubChem CID:	85086601
Reduced:	O2N3C16H25 (1)
Stoich.:	A2B3C16D25 (1)
Weight, g/mol:	291.1293
ΔH_f, kcal/mol:	-100.67
Dipole, Da:	2.89
IP(EA), eV:	-8.46(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-benzyl-2-methyl-6-sulfanylidenepiperidine-3-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCC1CNCC1C2=CC=C(C=C2)N

DOS

IR

Vibrations