Geometry & MOs

Info

ID:	252521
PubChem CID:	103111990
Reduced:	N3O4C13H23 (1)
Stoich.:	A3B4C13D23 (1)
Weight, g/mol:	260.09094
ΔH_f, kcal/mol:	-149.63
Dipole, Da:	5.21
IP(EA), eV:	-9.85(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-methyl-3-nitrophenyl)methylamino]-1H-pyrazin-2-one

Drug info:

PubChemData

Smile

CC1=C(N=NN1CC(C)(C(C)C)O)C(=O)OCCOC

DOS

IR

Vibrations