Geometry & MOs

Info

ID:	182483
PubChem CID:	76893362
Reduced:	NOC6H12 (2)
Stoich.:	ABC6D12 (2)
Weight, g/mol:	244.160935
ΔH_f, kcal/mol:	-127.32
Dipole, Da:	3.65
IP(EA), eV:	-9.36(1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-1-(3-ethylpiperidin-1-yl)-4-methylsulfanylbutan-1-one

Drug info:

PubChemData

Smile

CC(C1CCCO1)NC(=O)C(C(C)(C)C)N

DOS

IR

Vibrations