Geometry & MOs

Info

ID:	268445
PubChem CID:	103599418
Reduced:	F2O2N4C23H26 (1)
Stoich.:	A2B2C4D23E26 (1)
Weight, g/mol:	299.188529
ΔH_f, kcal/mol:	-124.28
Dipole, Da:	9.12
IP(EA), eV:	-8.64(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-cyclohexyloxyphenyl)methyl]hexa-2,4-dienamide

Drug info:

PubChemData

Smile

CC1=CC(=C(N1CC(C)C)C)C=C(C#N)C(=O)NCCNC(=O)C2=C(C=CC=C2F)F

DOS

IR

Vibrations