Geometry & MOs

Info

ID:	238672
PubChem CID:	92765019
Reduced:	OSN7C25H33 (1)
Stoich.:	ABC7D25E33 (1)
Weight, g/mol:	362.243024
ΔH_f, kcal/mol:	56.16
Dipole, Da:	3.42
IP(EA), eV:	-8.31(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-[2-(4-ethylpiperazin-1-yl)ethyl]-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)propanamide

Drug info:

PubChemData

Smile

CCN1CCN(CC1)CC2=CC=C(C=C2)NC(=O)[C@@H]3CCCN(C3)C4=NN=C(S4)N5C=CC=C5

DOS

IR

Vibrations