Geometry & MOs

Info

ID:	249000
PubChem CID:	103086153
Reduced:	BrN5C11H14 (1)
Stoich.:	AB5C11D14 (1)
Weight, g/mol:	211.14331
ΔH_f, kcal/mol:	91.08
Dipole, Da:	5.52
IP(EA), eV:	-9.62(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N2C(=NN=N2)C(C)NC)Br

DOS

IR

Vibrations