Geometry & MOs

Info

ID:	83217
PubChem CID:	49857297
Reduced:	NO3C22H25 (1)
Stoich.:	AB3C22D25 (1)
Weight, g/mol:	303.101919
ΔH_f, kcal/mol:	-115.47
Dipole, Da:	2.85
IP(EA), eV:	-9.14(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(CC(=O)OC)NC(=O)C2=CC=CC3=C2CCCC3

DOS

IR

Vibrations