Geometry & MOs

Info

ID:	285310
PubChem CID:	104099005
Reduced:	SN5C9H13 (1)
Stoich.:	AB5C9D13 (1)
Weight, g/mol:	218.116761
ΔH_f, kcal/mol:	89.61
Dipole, Da:	3.62
IP(EA), eV:	-9.46(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(furan-2-yl)-N-[2-(triazol-1-yl)ethyl]prop-2-en-1-amine

Drug info:

PubChemData

Smile

CC1=C(SC=N1)CNCCN2C=CN=N2

DOS

IR

Vibrations