Geometry & MOs

Info

ID:	320561
PubChem CID:	126661733
Reduced:	FNOH20C21 (1)
Stoich.:	ABCD20E21 (1)
Weight, g/mol:	343.14514
ΔH_f, kcal/mol:	-46.47
Dipole, Da:	2.95
IP(EA), eV:	-9.13(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(5-chloro-2-methyl-3-pyrimidin-5-ylphenyl)-2-methyl-N-propylbut-2-enamide

Drug info:

PubChemData

Smile

CC1=CC2=C(CC3CCNC(=O)C(=C2)C3)C(=C1)C4=CC=C(C=C4)F

DOS

IR

Vibrations