Geometry & MOs

Info

ID:	264015
PubChem CID:	103416638
Reduced:	Br2O2N5C12H13 (1)
Stoich.:	A2B2C5D12E13 (1)
Weight, g/mol:	418.97794
ΔH_f, kcal/mol:	-2.92
Dipole, Da:	5.08
IP(EA), eV:	-8.88(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(2,4-dibromo-5-methoxyphenyl)tetrazol-5-yl]methyl]-2-methylpropan-2-amine

Drug info:

PubChemData

Smile

COC1=C(C=C(C(=C1)N2C=C(N=N2)CNC(=O)CN)Br)Br

DOS

IR

Vibrations