Geometry & MOs

Info

ID:	248862
PubChem CID:	103085054
Reduced:	N5C16H25 (1)
Stoich.:	A5B16C25 (1)
Weight, g/mol:	299.13578
ΔH_f, kcal/mol:	79.38
Dipole, Da:	6.44
IP(EA), eV:	-9.49(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[1-[1-(2,3,4-trifluorophenyl)tetrazol-5-yl]ethyl]propan-1-amine

Drug info:

PubChemData

Smile

CCCNC(C)C1=NN=NN1C2=C(C=CC=C2CC)CC

DOS

IR

Vibrations