Geometry & MOs

Info

ID:	300108
PubChem CID:	119526848
Reduced:	ClON2C10H12 (2)
Stoich.:	ABC2D10E12 (2)
Weight, g/mol:	352.201159
ΔH_f, kcal/mol:	-44.1
Dipole, Da:	2.12
IP(EA), eV:	-9.26(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)C(CNC(=O)C2=NOC(=C2)C3=CN=CC=C3)N.Cl.Cl

DOS

IR

Vibrations