Geometry & MOs

Info

ID:	211498
PubChem CID:	81044113
Reduced:	SN2O3C14H26 (1)
Stoich.:	AB2C3D14E26 (1)
Weight, g/mol:	282.267114
ΔH_f, kcal/mol:	-165.34
Dipole, Da:	3.71
IP(EA), eV:	-9.06(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-methylheptan-2-yl)-3-piperidin-3-ylbutanamide

Drug info:

PubChemData

Smile

CC(CC(=O)N[C@@H](CCSC)C(=O)O)C1CCCNC1

DOS

IR

Vibrations