Geometry & MOs

Info

ID:	145442
PubChem CID:	53525158
Reduced:	O3N4C22H26 (1)
Stoich.:	A3B4C22D26 (1)
Weight, g/mol:	316.104563
ΔH_f, kcal/mol:	-86.83
Dipole, Da:	3.1
IP(EA), eV:	-8.02(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=NC=C(C=C2)NC(=O)C3CCCN3C(=O)C4=CC=CC=C4O

DOS

IR

Vibrations