Geometry & MOs

Info

ID:	422467
PubChem CID:	135117881
Reduced:	SN2O2C13H18 (1)
Stoich.:	AB2C2D13E18 (1)
Weight, g/mol:	332.173607
ΔH_f, kcal/mol:	-62.99
Dipole, Da:	3.36
IP(EA), eV:	-9.12(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-acetylmorpholin-2-yl)methyl]-4-methoxy-3-prop-2-enylbenzamide

Drug info:

PubChemData

Smile

CSCC(=O)N[C@H]1COC[C@H]1CC2=CC=NC=C2

DOS

IR

Vibrations