Geometry & MOs

Info

ID:	278759
PubChem CID:	103837778
Reduced:	O3N4C13H18 (1)
Stoich.:	A3B4C13D18 (1)
Weight, g/mol:	226.142976
ΔH_f, kcal/mol:	-12.07
Dipole, Da:	11.7
IP(EA), eV:	-9.26(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-1H-pyrazin-2-one

Drug info:

PubChemData

Smile

CC(CNC1=C(C=C(C=C1)[N+](=O)[O-])C#N)(CN(C)C)O

DOS

IR

Vibrations