Geometry & MOs

Info

ID:	126788
PubChem CID:	50978728
Reduced:	O2N3C15H23 (1)
Stoich.:	A2B3C15D23 (1)
Weight, g/mol:	312.150764
ΔH_f, kcal/mol:	-35.37
Dipole, Da:	5.24
IP(EA), eV:	-8.97(0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,5-dimethylphenyl)-N-[2-[methyl(methylsulfonyl)amino]ethyl]propanamide

Drug info:

PubChemData

Smile

CN1C=CN=C1CN(C2CC2)C(=O)C3(CCC3)COC

DOS

IR

Vibrations