Geometry & MOs

Info

ID:	268287
PubChem CID:	103598761
Reduced:	OSN4C21H28 (1)
Stoich.:	ABC4D21E28 (1)
Weight, g/mol:	379.135448
ΔH_f, kcal/mol:	11.7
Dipole, Da:	7.41
IP(EA), eV:	-8.56(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC(=C(N1CCC(C)C)C)C=C(C#N)C(=O)N(C)CC2=CSC(=N2)C

DOS

IR

Vibrations