Geometry & MOs

Info

ID:	248856
PubChem CID:	103085013
Reduced:	FN5C13H18 (1)
Stoich.:	AB5C13D18 (1)
Weight, g/mol:	291.169525
ΔH_f, kcal/mol:	34.55
Dipole, Da:	4.58
IP(EA), eV:	-9.54(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[1-(2,4-dimethoxyphenyl)tetrazol-5-yl]ethyl]propan-1-amine

Drug info:

PubChemData

Smile

CC(C)CNC(C)C1=NN=NN1C2=CC=C(C=C2)F

DOS

IR

Vibrations