Geometry & MOs

Info

ID:	285249
PubChem CID:	104098808
Reduced:	BrSN4C9H11 (1)
Stoich.:	ABC4D9E11 (1)
Weight, g/mol:	206.127994
ΔH_f, kcal/mol:	92.93
Dipole, Da:	2.81
IP(EA), eV:	-9.41(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-methylimidazol-2-yl)methyl]-2-(triazol-1-yl)ethanamine

Drug info:

PubChemData

Smile

C1=CN(N=N1)CCNCC2=CC(=CS2)Br

DOS

IR

Vibrations