Geometry & MOs

Info

ID:	270999
PubChem CID:	103639364
Reduced:	ClN3C13H20 (1)
Stoich.:	AB3C13D20 (1)
Weight, g/mol:	224.057722
ΔH_f, kcal/mol:	-8.76
Dipole, Da:	5.15
IP(EA), eV:	-9.22(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-2-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1CCCC(C1)CNC2=CC(=NC(=N2)C)Cl

DOS

IR

Vibrations