Geometry & MOs

Info

ID:	148085
PubChem CID:	53787747
Reduced:	SN3O4C12H15 (1)
Stoich.:	AB3C4D12E15 (1)
Weight, g/mol:	234.136828
ΔH_f, kcal/mol:	-92.6
Dipole, Da:	6.77
IP(EA), eV:	-9.0(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-methyl-5-(propanoylamino)phenyl]propanamide

Drug info:

PubChemData

Smile

CNS(=O)(=O)OCCOC1=CC=C(C=C1)N2C=CN=C2

DOS

IR

Vibrations