Geometry & MOs

Info

ID:	296962
PubChem CID:	117603056
Reduced:	O2N3C17H19 (1)
Stoich.:	A2B3C17D19 (1)
Weight, g/mol:	522.237939
ΔH_f, kcal/mol:	-1.74
Dipole, Da:	2.09
IP(EA), eV:	-8.73(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[4-[3-(7-oxo-1H-quinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]phenyl]piperazine-1-carboxylate

Drug info:

PubChemData

Smile

CN1CCC(=CC1)C2=NN(C(=C2)C(=O)OC)C3=CC=CC=C3

DOS

IR

Vibrations