Geometry & MOs

Info

ID:	285248
PubChem CID:	104098805
Reduced:	N4C11H20 (1)
Stoich.:	A4B11C20 (1)
Weight, g/mol:	285.98878
ΔH_f, kcal/mol:	36.14
Dipole, Da:	4.48
IP(EA), eV:	-9.4(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-bromothiophen-2-yl)methyl]-2-(triazol-1-yl)ethanamine

Drug info:

PubChemData

Smile

C1CCC(CC1)CNCCN2C=CN=N2

DOS

IR

Vibrations