Geometry & MOs

Info

ID:	266649
PubChem CID:	103577780
Reduced:	SN4C10H16 (1)
Stoich.:	AB4C10D16 (1)
Weight, g/mol:	218.127994
ΔH_f, kcal/mol:	52.96
Dipole, Da:	5.25
IP(EA), eV:	-8.83(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-amine

Drug info:

PubChemData

Smile

CC1CN(CC1N)C2=NC(=NS2)C3CC3

DOS

IR

Vibrations