Geometry & MOs

Info

ID:	349847
PubChem CID:	127276239
Reduced:	ON5C20H27 (1)
Stoich.:	AB5C20D27 (1)
Weight, g/mol:	356.23246
ΔH_f, kcal/mol:	19.99
Dipole, Da:	5.8
IP(EA), eV:	-8.57(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C=C(N=N2)C(=O)N3CCCC3CN4CCCCC4

DOS

IR

Vibrations