Geometry & MOs

Info

ID:	249086
PubChem CID:	103086731
Reduced:	BrN5C11H14 (1)
Stoich.:	AB5C11D14 (1)
Weight, g/mol:	297.140117
ΔH_f, kcal/mol:	76.62
Dipole, Da:	7.2
IP(EA), eV:	-9.24(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(2,6-difluoro-3-methylphenyl)tetrazol-5-yl]-N-(2-methoxyethyl)ethanamine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)Br)N2C(=NN=N2)C(C)NC

DOS

IR

Vibrations