Geometry & MOs

Info

ID:	445185
PubChem CID:	135264794
Reduced:	ON4C10H14 (1)
Stoich.:	AB4C10D14 (1)
Weight, g/mol:	260.127326
ΔH_f, kcal/mol:	33.86
Dipole, Da:	3.08
IP(EA), eV:	-9.24(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-diethyl-5-(methoxymethyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=NN(C(=C1C#N)NC(=C)COC)C

DOS

IR

Vibrations