Geometry & MOs

Info

ID:	129857
PubChem CID:	51074068
Reduced:	O2N4C19H20 (1)
Stoich.:	A2B4C19D20 (1)
Weight, g/mol:	328.099397
ΔH_f, kcal/mol:	34.26
Dipole, Da:	5.06
IP(EA), eV:	-9.05(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(1-methylpyrazol-4-yl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1CC1C2=CC=C(O2)/C=C/C(=O)NC(C)C3=NN=C4N3C=CC=C4

DOS

IR

Vibrations