Geometry & MOs

Info

ID:	417493
PubChem CID:	135095554
Reduced:	N5O5C35H47 (1)
Stoich.:	A5B5C35D47 (1)
Weight, g/mol:	322.190595
ΔH_f, kcal/mol:	-198.98
Dipole, Da:	3.62
IP(EA), eV:	-9.52(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)NCCCCN(CC2=CC=C(C=C2)C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1)CC(C)C)CC3=CC=CC=C3)C(=O)C4CCC4

DOS

IR

Vibrations