Geometry & MOs

Info

ID:	249087
PubChem CID:	103086737
Reduced:	OF2N5C13H17 (1)
Stoich.:	AB2C5D13E17 (1)
Weight, g/mol:	297.02252
ΔH_f, kcal/mol:	-30.23
Dipole, Da:	7.15
IP(EA), eV:	-9.41(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(3-bromo-5-methoxyphenyl)tetrazol-5-yl]ethanamine

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)F)N2C(=NN=N2)C(C)NCCOC)F

DOS

IR

Vibrations