Geometry & MOs

Info

ID:	279549
PubChem CID:	103844300
Reduced:	F2N2O3C10H10 (1)
Stoich.:	A2B2C3D10E10 (1)
Weight, g/mol:	209.116427
ΔH_f, kcal/mol:	-98.97
Dipole, Da:	5.7
IP(EA), eV:	-9.41(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-hydroxycyclohexyl)amino]-1H-pyrazin-2-one

Drug info:

PubChemData

Smile

C1CC1(CO)NC2=C(C=C(C=C2F)[N+](=O)[O-])F

DOS

IR

Vibrations