Geometry & MOs

Info

ID:	348491
PubChem CID:	127273602
Reduced:	Cl2O2N4H16C17 (1)
Stoich.:	A2B2C4D16E17 (1)
Weight, g/mol:	379.16444
ΔH_f, kcal/mol:	-27.64
Dipole, Da:	5.46
IP(EA), eV:	-8.89(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopropyl-N-[2-(6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-2-oxoethyl]-3-oxo-1H-isoindole-1-carboxamide

Drug info:

PubChemData

Smile

C1CN(C2=CC=NN2C1)C(=O)C3CCN(C3=O)C4=CC(=C(C=C4)Cl)Cl

DOS

IR

Vibrations