Geometry & MOs

Info

ID:	249041
PubChem CID:	103086417
Reduced:	BrN5C15H22 (1)
Stoich.:	AB5C15D22 (1)
Weight, g/mol:	349.01499
ΔH_f, kcal/mol:	65.67
Dipole, Da:	3.9
IP(EA), eV:	-9.42(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1N2C(=NN=N2)C(C)NCC(C)C)C)Br

DOS

IR

Vibrations