Geometry & MOs

Info

ID:	406106
PubChem CID:	135076581
Reduced:	FOPN3H27C31 (1)
Stoich.:	ABCD3E27F31 (1)
Weight, g/mol:	276.172545
ΔH_f, kcal/mol:	-12.11
Dipole, Da:	2.39
IP(EA), eV:	-8.83(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-(4-methylphenyl)-1,1-dipropoxybut-3-en-2-one

Drug info:

PubChemData

Smile

C1CN(P(=O)(N1CC2=CC=CC3=CC=CC=C32)/N=C/C4=CC=C(C=C4)F)CC5=CC=CC6=CC=CC=C65

DOS

IR

Vibrations