Geometry & MOs

Info

ID:	160102
PubChem CID:	57304731
Reduced:	OSN2C28H30 (1)
Stoich.:	ABC2D28E30 (1)
Weight, g/mol:	222.100442
ΔH_f, kcal/mol:	37.23
Dipole, Da:	0.94
IP(EA), eV:	-8.8(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(methoxyamino)-N-methyl-3-oxo-N-phenylpropanamide

Drug info:

PubChemData

Smile

CC1=CSC(=N1)C(C2CCCCCC2)C3=CC=C(C=C3)OCC4=NC5=CC=CC=C5C=C4

DOS

IR

Vibrations