Geometry & MOs

Info

ID:	126824
PubChem CID:	50980143
Reduced:	N3O4C13H17 (1)
Stoich.:	A3B4C13D17 (1)
Weight, g/mol:	318.140199
ΔH_f, kcal/mol:	-118.02
Dipole, Da:	6.3
IP(EA), eV:	-8.93(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-[(4-methylsulfonylphenyl)methyl]-1-pyridin-2-ylpropan-2-amine

Drug info:

PubChemData

Smile

COC1=CC=C(O1)C(=O)N2CCN3CCNC(=O)C3C2

DOS

IR

Vibrations