Geometry & MOs

Info

ID:	248826
PubChem CID:	103084722
Reduced:	ClON5C13H18 (1)
Stoich.:	ABC5D13E18 (1)
Weight, g/mol:	279.125073
ΔH_f, kcal/mol:	35.61
Dipole, Da:	6.02
IP(EA), eV:	-9.65(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[1-(5-chloro-2-methylphenyl)tetrazol-5-yl]ethyl]propan-1-amine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations