Geometry & MOs

Info

ID:	254049
PubChem CID:	103122392
Reduced:	ClON4C11H13 (1)
Stoich.:	ABC4D11E13 (1)
Weight, g/mol:	264.077789
ΔH_f, kcal/mol:	15.45
Dipole, Da:	1.74
IP(EA), eV:	-9.5(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(chloromethyl)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyrazin-3-ylmethanone

Drug info:

PubChemData

Smile

CC(CN(C)C(=O)C1=C2C=NC=CN2N=C1)Cl

DOS

IR

Vibrations