Geometry & MOs

Info

ID:	196931
PubChem CID:	78898327
Reduced:	N2O3C21H34 (1)
Stoich.:	A2B3C21D34 (1)
Weight, g/mol:	413.196408
ΔH_f, kcal/mol:	-115.31
Dipole, Da:	2.68
IP(EA), eV:	-8.09(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-methylpyridin-2-yl)-1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1C(C)NC(=O)CN(CCC(C)C)C2CC2)OC)OC

DOS

IR

Vibrations