Geometry & MOs

Info

ID:	258426
PubChem CID:	103153809
Reduced:	N3O3C11H13 (1)
Stoich.:	A3B3C11D13 (1)
Weight, g/mol:	267.121906
ΔH_f, kcal/mol:	-63.53
Dipole, Da:	6.23
IP(EA), eV:	-9.12(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]-3-methoxybutanoic acid

Drug info:

PubChemData

Smile

COC(CC(=O)O)CNC1=C(N=CC=C1)C#N

DOS

IR

Vibrations