Geometry & MOs

Info

ID:	250705
PubChem CID:	103098446
Reduced:	BrO2N5C7H12 (1)
Stoich.:	AB2C5D7E12 (1)
Weight, g/mol:	285.03376
ΔH_f, kcal/mol:	-37.58
Dipole, Da:	3.47
IP(EA), eV:	-9.19(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]-1,2,4-triazol-3-amine

Drug info:

PubChemData

Smile

COCCNC(=O)CN1C(=NC(=N1)N)Br

DOS

IR

Vibrations