Geometry & MOs

Info

ID:	248954
PubChem CID:	103085853
Reduced:	ON3C6H8 (2)
Stoich.:	AB3C6D8 (2)
Weight, g/mol:	259.179696
ΔH_f, kcal/mol:	85.01
Dipole, Da:	6.02
IP(EA), eV:	-9.8(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-1-[1-(4-phenylbutan-2-yl)tetrazol-5-yl]ethanamine

Drug info:

PubChemData

Smile

CCNC(C)C1=NN=NN1CC2=CC=CC=C2[N+](=O)[O-]

DOS

IR

Vibrations