Geometry & MOs

Info

ID:	259688
PubChem CID:	103171904
Reduced:	SN2O2C16H28 (1)
Stoich.:	AB2C2D16E28 (1)
Weight, g/mol:	293.210327
ΔH_f, kcal/mol:	-114.59
Dipole, Da:	5.32
IP(EA), eV:	-8.57(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3,4-dimethoxypyridin-2-yl)methyl]-3-ethyl-N-methylpiperidin-4-amine

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)C)S(=O)(=O)NCC(C(C)C)C(C)C)N

DOS

IR

Vibrations