Geometry & MOs

Info

ID:	82972
PubChem CID:	49856912
Reduced:	ClNO3C12H14 (1)
Stoich.:	ABC3D12E14 (1)
Weight, g/mol:	319.072369
ΔH_f, kcal/mol:	-131.06
Dipole, Da:	3.22
IP(EA), eV:	-9.78(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(3-chlorophenyl)-3-(pyrazine-2-carbonylamino)propanoate

Drug info:

PubChemData

Smile

CC(=O)NC(CC(=O)OC)C1=CC(=CC=C1)Cl

DOS

IR

Vibrations