Geometry & MOs

Info

ID:	253437
PubChem CID:	103118429
Reduced:	ON2C7H7 (2)
Stoich.:	AB2C7D7 (2)
Weight, g/mol:	273.122575
ΔH_f, kcal/mol:	30.2
Dipole, Da:	6.25
IP(EA), eV:	-8.59(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]-pyrazolo[1,5-a]pyrazin-3-ylmethanone

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(=O)N2CC/C(=N/O)/C3=CC=CC=C32

DOS

IR

Vibrations