Geometry & MOs

Info

ID:	304521
PubChem CID:	124756151
Reduced:	NOC9H14 (2)
Stoich.:	ABC9D14 (2)
Weight, g/mol:	280.143645
ΔH_f, kcal/mol:	-73.41
Dipole, Da:	1.97
IP(EA), eV:	-8.57(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine

Drug info:

PubChemData

Smile

CC[C@H](C)C1=CC=C(C=C1)NC(=O)CN(C)CC2(COC2)C

DOS

IR

Vibrations