Geometry & MOs

Info

ID:	264853
PubChem CID:	103497966
Reduced:	N2O5C12H20 (1)
Stoich.:	A2B5C12D20 (1)
Weight, g/mol:	310.171499
ΔH_f, kcal/mol:	-235.87
Dipole, Da:	4.45
IP(EA), eV:	-9.35(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-1-[4-(4-propan-2-ylpiperidin-1-yl)sulfonylphenyl]methanamine

Drug info:

PubChemData

Smile

CC(C(C)C(=O)O)C(=O)N1CCN(CC1)C(=O)OC

DOS

IR

Vibrations