Geometry & MOs

Info

ID:	418683
PubChem CID:	135106546
Reduced:	ON2C11H11 (2)
Stoich.:	AB2C11D11 (2)
Weight, g/mol:	339.180758
ΔH_f, kcal/mol:	32.08
Dipole, Da:	4.36
IP(EA), eV:	-9.29(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-ethyl-2-morpholin-4-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C(=O)N2CCCC3(C2)CCC4=CN=C(N=C34)C5=CC=CC=C5

DOS

IR

Vibrations