Geometry & MOs

Info

ID:	276881
PubChem CID:	103825548
Reduced:	SO2N3C16H21 (1)
Stoich.:	AB2C3D16E21 (1)
Weight, g/mol:	347.01819
ΔH_f, kcal/mol:	-57.39
Dipole, Da:	2.76
IP(EA), eV:	-8.42(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-bromo-4-fluorophenyl)methyl]-2-(tetrazol-1-yl)aniline

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCCNC1=CC=C(C=C1)C2=NC=CS2

DOS

IR

Vibrations