Geometry & MOs

Info

ID:	421738
PubChem CID:	135116520
Reduced:	ON2C8H9 (2)
Stoich.:	AB2C8D9 (2)
Weight, g/mol:	323.17461
ΔH_f, kcal/mol:	-20.94
Dipole, Da:	2.5
IP(EA), eV:	-9.76(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(3-methoxyphenyl)piperidin-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine

Drug info:

PubChemData

Smile

CC1=CC(=CN=C1)C(=O)N2C[C@H]([C@@H](C2)O)CC3=NC=CN=C3

DOS

IR

Vibrations