Geometry & MOs

Info

ID:	435644
PubChem CID:	135192048
Reduced:	FN2O5C37H41 (1)
Stoich.:	AB2C5D37E41 (1)
Weight, g/mol:	261.152892
ΔH_f, kcal/mol:	-176.41
Dipole, Da:	4.09
IP(EA), eV:	-8.31(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E,4Z)-4-[(2-fluorophenyl)methyl]-2-propan-2-ylhexa-2,4-dienamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)F)OCC2=C(C=CC3=C2N(C(=O)C(N3)(C)C)C)C4=C(C=C(C=C4)OCCCCOCC5=CC=CC=C5)OC

DOS

IR

Vibrations