Geometry & MOs

Info

ID:	249099
PubChem CID:	103086824
Reduced:	O3N5C12H23 (1)
Stoich.:	A3B5C12D23 (1)
Weight, g/mol:	299.01819
ΔH_f, kcal/mol:	-61.1
Dipole, Da:	5.19
IP(EA), eV:	-9.9(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(3-bromo-4-fluorophenyl)tetrazol-5-yl]-N-methylethanamine

Drug info:

PubChemData

Smile

CC(C1=NN=NN1CC2(CCOC2)OC)NCCOC

DOS

IR

Vibrations