Geometry & MOs

Info

ID:	250732
PubChem CID:	103098681
Reduced:	BrON5C7H12 (1)
Stoich.:	ABC5D7E12 (1)
Weight, g/mol:	315.06947
ΔH_f, kcal/mol:	-6.52
Dipole, Da:	3.66
IP(EA), eV:	-9.2(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-amino-5-bromo-1,2,4-triazol-1-yl)-N-cycloheptylacetamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations