Geometry & MOs

Info

ID:	139806
PubChem CID:	52600892
Reduced:	ON3C11H17 (1)
Stoich.:	AB3C11D17 (1)
Weight, g/mol:	318.095748
ΔH_f, kcal/mol:	46.23
Dipole, Da:	1.75
IP(EA), eV:	-9.36(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-[(4-chlorophenyl)methyl]-1,3-thiazol-4-yl]methyl]-N-prop-2-enylprop-2-en-1-amine

Drug info:

PubChemData

Smile

CCC1=NOC(=N1)CN(CC=C)CC=C

DOS

IR

Vibrations