Geometry & MOs

Info

ID:	249044
PubChem CID:	103086490
Reduced:	ON5C15H21 (1)
Stoich.:	AB5C15D21 (1)
Weight, g/mol:	271.179696
ΔH_f, kcal/mol:	71.92
Dipole, Da:	7.14
IP(EA), eV:	-9.43(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)tetrazol-5-yl]ethyl]propan-1-amine

Drug info:

PubChemData

Smile

CC(C1=NN=NN1CC2CC3=CC=CC=C23)NCCOC

DOS

IR

Vibrations