Geometry & MOs

Info

ID:	248951
PubChem CID:	103085812
Reduced:	ClN5C15H22 (1)
Stoich.:	AB5C15D22 (1)
Weight, g/mol:	239.17461
ΔH_f, kcal/mol:	60.95
Dipole, Da:	6.85
IP(EA), eV:	-9.72(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-1-[1-(oxan-3-ylmethyl)tetrazol-5-yl]ethanamine

Drug info:

PubChemData

Smile

CC(C)CNC(C)C1=NN=NN1C(C)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations