Geometry & MOs

Info

ID:	191539
PubChem CID:	78161548
Reduced:	N2O2C11H13 (2)
Stoich.:	A2B2C11D13 (2)
Weight, g/mol:	408.26376
ΔH_f, kcal/mol:	-107.98
Dipole, Da:	3.32
IP(EA), eV:	-8.78(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-methylphenyl)ethyl]-2-(1-methylpiperidin-4-yl)oxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine

Drug info:

PubChemData

Smile

CC(C(=O)NC(CO)C1=CC=CC=C1)N2CC3=C(C2=O)N=C(C=C3)N4CCOCC4

DOS

IR

Vibrations