Geometry & MOs

Info

ID:	198022
PubChem CID:	79033287
Reduced:	NOC7H11 (2)
Stoich.:	ABC7D11 (2)
Weight, g/mol:	197.116427
ΔH_f, kcal/mol:	-81.04
Dipole, Da:	4.62
IP(EA), eV:	-8.98(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-hydroxybutan-2-ylamino)-1-methylpyrazin-2-one

Drug info:

PubChemData

Smile

CC(C)CCCCNC1=CC(=NC=C1)C(=O)OC

DOS

IR

Vibrations