Geometry & MOs

Info

ID:	249032
PubChem CID:	103086363
Reduced:	ON5C14H27 (1)
Stoich.:	AB5C14D27 (1)
Weight, g/mol:	349.01499
ΔH_f, kcal/mol:	-2.91
Dipole, Da:	7.05
IP(EA), eV:	-9.46(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCC(CC1C)N2C(=NN=N2)C(C)NCCOC

DOS

IR

Vibrations