Geometry & MOs

Info

ID:	221099
PubChem CID:	85256805
Reduced:	N5H13C16 (1)
Stoich.:	A5B13C16 (1)
Weight, g/mol:	275.109233
ΔH_f, kcal/mol:	138.86
Dipole, Da:	2.7
IP(EA), eV:	-8.94(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(butylamino)-1-imidazol-1-yl-3-thiophen-2-ylprop-2-en-1-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=NNC2=CC=CC=N2)C3=NC=NC=C3

DOS

IR

Vibrations