Geometry & MOs

Info

ID:	247825
PubChem CID:	103076896
Reduced:	ClON6C13H19 (1)
Stoich.:	ABC6D13E19 (1)
Weight, g/mol:	310.130887
ΔH_f, kcal/mol:	22.79
Dipole, Da:	2.59
IP(EA), eV:	-9.62(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-N-(2-methylpropyl)propanamide

Drug info:

PubChemData

Smile

CC1=C(N2C(=NC=N2)N=C1Cl)N(C)CC(=O)NCC(C)C

DOS

IR

Vibrations