Geometry & MOs

Info

ID:	248823
PubChem CID:	103084689
Reduced:	ClN4C9H17 (1)
Stoich.:	AB4C9D17 (1)
Weight, g/mol:	279.125073
ΔH_f, kcal/mol:	28.03
Dipole, Da:	6.12
IP(EA), eV:	-11.06(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[1-(4-chlorophenyl)tetrazol-5-yl]ethyl]-2-methylpropan-1-amine

Drug info:

PubChemData

Smile

CCC(CC)CN1C(=NN=N1)C(C)Cl

DOS

IR

Vibrations