Geometry & MOs

Info

ID:	168363
PubChem CID:	74957240
Reduced:	ClO2N3H8C15 (1)
Stoich.:	AB2C3D8E15 (1)
Weight, g/mol:	488.23246
ΔH_f, kcal/mol:	29.62
Dipole, Da:	5.07
IP(EA), eV:	-8.66(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-methoxyphenyl)-7-[4-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine

Drug info:

PubChemData

Smile

C1=CC2=C(C(=O)C(=C3NC4=C(O3)C=CC=N4)C=C2Cl)N=C1

DOS

IR

Vibrations