Geometry & MOs

Info

ID:	249101
PubChem CID:	103086831
Reduced:	BrO2N6C10H11 (1)
Stoich.:	AB2C6D10E11 (1)
Weight, g/mol:	271.200825
ΔH_f, kcal/mol:	66.73
Dipole, Da:	9.08
IP(EA), eV:	-9.71(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-1-[1-[4-(2-methoxyethoxy)butyl]tetrazol-5-yl]ethanamine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1[N+](=O)[O-])N2C(=NN=N2)C(C)N)Br

DOS

IR

Vibrations