Geometry & MOs

Info

ID:	247735
PubChem CID:	103073018
Reduced:	O3N4C11H16 (1)
Stoich.:	A3B4C11D16 (1)
Weight, g/mol:	232.132411
ΔH_f, kcal/mol:	-10.62
Dipole, Da:	3.79
IP(EA), eV:	-9.31(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-(ethylaminomethyl)prop-2-enyl]pyrazolo[1,5-a]pyrazin-4-one

Drug info:

PubChemData

Smile

CCCNCC(=C)CN1C=C(C=NC1=O)[N+](=O)[O-]

DOS

IR

Vibrations