Geometry & MOs

Info

ID:	264473
PubChem CID:	103463555
Reduced:	BrN3C10H16 (1)
Stoich.:	AB3C10D16 (1)
Weight, g/mol:	281.115571
ΔH_f, kcal/mol:	5.6
Dipole, Da:	5.34
IP(EA), eV:	-9.35(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-(2,2-dimethylbutyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine

Drug info:

PubChemData

Smile

CCC(C)(C)CNC1=CC(=NC=N1)Br

DOS

IR

Vibrations