Geometry & MOs

Info

ID:	249052
PubChem CID:	103086518
Reduced:	N5C13H19 (1)
Stoich.:	A5B13C19 (1)
Weight, g/mol:	326.01269
ΔH_f, kcal/mol:	77.65
Dipole, Da:	5.56
IP(EA), eV:	-9.58(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(4-bromo-3-nitrophenyl)tetrazol-5-yl]-N-methylethanamine

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CCN2C(=NN=N2)C(C)NC

DOS

IR

Vibrations