Geometry & MOs

Info

ID:	132269
PubChem CID:	51333093
Reduced:	O3N4C22H26 (1)
Stoich.:	A3B4C22D26 (1)
Weight, g/mol:	287.109233
ΔH_f, kcal/mol:	-85.31
Dipole, Da:	3.14
IP(EA), eV:	-8.87(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(2-methyl-1,3-thiazol-4-yl)-1-(2-propan-2-yliminopyridin-1-yl)prop-2-en-1-one

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)NCC(=O)N2CCN(CC2)CC(=O)NC3=CC=CC=C3

DOS

IR

Vibrations