Geometry & MOs

Info

ID:	296981
PubChem CID:	117604295
Reduced:	N5H25C27 (1)
Stoich.:	A5B25C27 (1)
Weight, g/mol:	437.195071
ΔH_f, kcal/mol:	121.17
Dipole, Da:	7.49
IP(EA), eV:	-8.52(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(2-ethenylphenyl)-6-[(1S)-2-ethoxy-1-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-5-methylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=CN=C1C2=CC(=NC=C2)C)CN3CC4=CN=C(C=C4C=C3)C5=CC(=NC=C5)C

DOS

IR

Vibrations