Geometry & MOs

Info

ID:	285287
PubChem CID:	104098950
Reduced:	F3N4C11H11 (1)
Stoich.:	A3B4C11D11 (1)
Weight, g/mol:	264.140868
ΔH_f, kcal/mol:	-52.81
Dipole, Da:	3.04
IP(EA), eV:	-9.91(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-tert-butylthiophen-2-yl)methyl]-2-(triazol-1-yl)ethanamine

Drug info:

PubChemData

Smile

C1=CN(N=N1)CCNCC2=CC(=C(C=C2F)F)F

DOS

IR

Vibrations