Geometry & MOs

Info

ID:	342962
PubChem CID:	127266125
Reduced:	ON2C8H14 (2)
Stoich.:	AB2C8D14 (2)
Weight, g/mol:	290.13789
ΔH_f, kcal/mol:	-76.82
Dipole, Da:	4.21
IP(EA), eV:	-8.89(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-methyl-3-(pyrazolo[1,5-a]pyrimidine-2-carbonylamino)butanoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)CCC1CCCCN1CC2=CN(N=N2)C

DOS

IR

Vibrations