Geometry & MOs

Info

ID:	275699
PubChem CID:	103817161
Reduced:	ClN4O4C12H15 (1)
Stoich.:	AB4C4D12E15 (1)
Weight, g/mol:	270.088353
ΔH_f, kcal/mol:	-80.88
Dipole, Da:	5.36
IP(EA), eV:	-10.13(-2.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-[3-oxo-3-(propan-2-ylamino)propyl]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)NC(=O)CCNC(=O)C1=C(N=CC(=C1)[N+](=O)[O-])Cl

DOS

IR

Vibrations