Geometry & MOs

Info

ID:	247832
PubChem CID:	103076952
Reduced:	ClN5C12H16 (1)
Stoich.:	AB5C12D16 (1)
Weight, g/mol:	253.073038
ΔH_f, kcal/mol:	75.44
Dipole, Da:	6.0
IP(EA), eV:	-9.83(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]cyclopropyl]methanol

Drug info:

PubChemData

Smile

CC1=C(N2C(=NC=N2)N=C1Cl)NC(C)C3CCC3

DOS

IR

Vibrations