Geometry & MOs

Info

ID:	248831
PubChem CID:	103084760
Reduced:	ClFN5C11H13 (1)
Stoich.:	ABC5D11E13 (1)
Weight, g/mol:	279.125073
ΔH_f, kcal/mol:	37.54
Dipole, Da:	5.42
IP(EA), eV:	-9.65(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCNC(C)C1=NN=NN1C2=C(C=C(C=C2)F)Cl

DOS

IR

Vibrations