Geometry & MOs

Info

ID:	201882
PubChem CID:	79596215
Reduced:	BrNSO2C15H16 (1)
Stoich.:	ABCD2E15F16 (1)
Weight, g/mol:	257.95748
ΔH_f, kcal/mol:	-20.65
Dipole, Da:	2.63
IP(EA), eV:	-8.56(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-bromothiophen-3-yl)-(1H-1,2,4-triazol-5-yl)methanamine

Drug info:

PubChemData

Smile

CCNC(C1COC2=CC=CC=C2O1)C3=CSC=C3Br

DOS

IR

Vibrations