Geometry & MOs

Info

ID:	126183
PubChem CID:	50954795
Reduced:	O2N6C15H20 (1)
Stoich.:	A2B6C15D20 (1)
Weight, g/mol:	336.150764
ΔH_f, kcal/mol:	-34.81
Dipole, Da:	10.47
IP(EA), eV:	-9.3(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-[[1-[(4-methylsulfonylphenyl)methyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=O)N=C(N1)CNC2=NC=CC(=N2)N3CCCC(C3)O

DOS

IR

Vibrations