Geometry & MOs

Info

ID:	72461
PubChem CID:	48416201
Reduced:	NO5C21H25 (1)
Stoich.:	AB5C21D25 (1)
Weight, g/mol:	343.153206
ΔH_f, kcal/mol:	-176.81
Dipole, Da:	0.82
IP(EA), eV:	-8.6(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(4-ethoxyphenyl)methyl]-3-(pyrazine-2-carbonylamino)propanoate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CC(CNC(=O)COC2=CC=CC=C2)C(=O)OC

DOS

IR

Vibrations