Geometry & MOs

Info

ID:	197625
PubChem CID:	78983842
Reduced:	BrSN3H8C9 (1)
Stoich.:	ABC3D8E9 (1)
Weight, g/mol:	334.98403
ΔH_f, kcal/mol:	75.17
Dipole, Da:	0.76
IP(EA), eV:	-9.07(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-bromothiophen-2-yl)methyl]-1-phenyltetrazol-5-amine

Drug info:

PubChemData

Smile

C1=CN=C(N=C1)NCC2=C(C=CS2)Br

DOS

IR

Vibrations