Geometry & MOs

Info

ID:	249078
PubChem CID:	103086684
Reduced:	BrN5C12H16 (1)
Stoich.:	AB5C12D16 (1)
Weight, g/mol:	323.07456
ΔH_f, kcal/mol:	68.49
Dipole, Da:	6.65
IP(EA), eV:	-9.23(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[1-(2-bromo-3-methylphenyl)tetrazol-5-yl]ethyl]propan-1-amine

Drug info:

PubChemData

Smile

CCNC(C)C1=NN=NN1C2=CC=CC(=C2Br)C

DOS

IR

Vibrations