Geometry & MOs

Info

ID:	434850
PubChem CID:	135175823
Reduced:	ClFOSN4C18H18 (1)
Stoich.:	ABCDE4F18G18 (1)
Weight, g/mol:	306.230728
ΔH_f, kcal/mol:	2.43
Dipole, Da:	7.76
IP(EA), eV:	-8.55(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-6-(dimethylamino)-2-methyl-1-[5-(2-methylpropanoyl)-1,2,3,6-tetrahydropyridin-3-yl]hex-4-en-3-one

Drug info:

PubChemData

Smile

CC1CNCCN1C2=C3C=C(C(=NC3=NS2)C4=C(C=CC=C4F)OC)Cl

DOS

IR

Vibrations