Geometry & MOs

Info

ID:	252351
PubChem CID:	103110725
Reduced:	O3N4C13H20 (1)
Stoich.:	A3B4C13D20 (1)
Weight, g/mol:	272.163711
ΔH_f, kcal/mol:	-6.67
Dipole, Da:	2.87
IP(EA), eV:	-8.82(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3-amino-2-methylphenyl)methylamino]-1-propylpyrazin-2-one

Drug info:

PubChemData

Smile

CCC(C/C(=N/O)/N)NCC1=C(C(=CC=C1)[N+](=O)[O-])C

DOS

IR

Vibrations