Geometry & MOs

Info

ID:	248837
PubChem CID:	103084844
Reduced:	ON5C14H21 (1)
Stoich.:	AB5C14D21 (1)
Weight, g/mol:	371.06069
ΔH_f, kcal/mol:	39.17
Dipole, Da:	7.83
IP(EA), eV:	-9.39(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[1-(3-iodophenyl)tetrazol-5-yl]ethyl]-2-methylpropan-1-amine

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N2C(=NN=N2)C(C)NCCOC)C

DOS

IR

Vibrations