Geometry & MOs

Info

ID:	248901
PubChem CID:	103085367
Reduced:	ClN5C11H14 (1)
Stoich.:	AB5C11D14 (1)
Weight, g/mol:	245.164046
ΔH_f, kcal/mol:	79.39
Dipole, Da:	4.3
IP(EA), eV:	-9.66(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-1-[1-(2-phenylethyl)tetrazol-5-yl]ethanamine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations