Geometry & MOs

Info

ID:	216667
PubChem CID:	85086581
Reduced:	IOC11H15 (1)
Stoich.:	ABC11D15 (1)
Weight, g/mol:	290.047361
ΔH_f, kcal/mol:	-10.89
Dipole, Da:	4.21
IP(EA), eV:	-9.37(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(4-nitrophenyl)-3-prop-2-enyl-1,3-thiazol-2-ylidene]nitrous amide

Drug info:

PubChemData

Smile

CC1=CCC(CC1)(CC=CI)C=O

DOS

IR

Vibrations