Geometry & MOs

Info

ID:	350723
PubChem CID:	127279011
Reduced:	OSN2C12H14 (1)
Stoich.:	ABC2D12E14 (1)
Weight, g/mol:	258.148061
ΔH_f, kcal/mol:	1.83
Dipole, Da:	5.75
IP(EA), eV:	-9.61(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,2-dimethylpyrrolidin-1-yl)-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone

Drug info:

PubChemData

Smile

CC1(CCCN1C(=O)C2=C(C=CS2)C#N)C

DOS

IR

Vibrations