Geometry & MOs

Info

ID:	253788
PubChem CID:	103120645
Reduced:	ON4C12H18 (1)
Stoich.:	AB4C12D18 (1)
Weight, g/mol:	245.12766
ΔH_f, kcal/mol:	-7.06
Dipole, Da:	6.98
IP(EA), eV:	-9.1(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(=O)NC2CC3CCC(C2)N3

DOS

IR

Vibrations