Geometry & MOs

Info

ID:	249043
PubChem CID:	103086476
Reduced:	ClN5C10H12 (1)
Stoich.:	AB5C10D12 (1)
Weight, g/mol:	287.17461
ΔH_f, kcal/mol:	81.67
Dipole, Da:	6.04
IP(EA), eV:	-10.09(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)tetrazol-5-yl]-N-(2-methoxyethyl)ethanamine

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)Cl)N2C(=NN=N2)C(C)N

DOS

IR

Vibrations