Geometry & MOs

Info

ID:	419251
PubChem CID:	135107826
Reduced:	SN2O3C23H28 (1)
Stoich.:	AB2C3D23E28 (1)
Weight, g/mol:	302.221895
ΔH_f, kcal/mol:	-103.48
Dipole, Da:	5.63
IP(EA), eV:	-8.93(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,2,2,6,6-pentamethyl-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)piperidin-4-amine

Drug info:

PubChemData

Smile

CCC(C)C(=O)NC1=CC=CC(=C1)C(=O)N2CCC3(CC2)C4=C(CCO3)C=CS4

DOS

IR

Vibrations