Geometry & MOs

Info

ID:	250701
PubChem CID:	103098433
Reduced:	BrON5C7H12 (1)
Stoich.:	ABC5D7E12 (1)
Weight, g/mol:	233.02761
ΔH_f, kcal/mol:	-11.12
Dipole, Da:	3.07
IP(EA), eV:	-9.24(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-1-[2-(dimethylamino)ethyl]-1,2,4-triazol-3-amine

Drug info:

PubChemData

Smile

CC(C)NC(=O)CN1C(=NC(=N1)N)Br

DOS

IR

Vibrations