Geometry & MOs

Info

ID:	146349
PubChem CID:	53673917
Reduced:	N3O3C10H15 (1)
Stoich.:	A3B3C10D15 (1)
Weight, g/mol:	406.211724
ΔH_f, kcal/mol:	-25.91
Dipole, Da:	5.2
IP(EA), eV:	-8.71(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[6-amino-2-methyl-3-methylidene-5-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]-2H-pyridin-4-yl]methyl]formamide

Drug info:

PubChemData

Smile

CN(C)C1=C(C=C(C=C1)NCCO)[N+](=O)[O-]

DOS

IR

Vibrations