Geometry & MOs

Info

ID:	153889
PubChem CID:	56313224
Reduced:	FO2N4H25C27 (1)
Stoich.:	AB2C4D25E27 (1)
Weight, g/mol:	452.222369
ΔH_f, kcal/mol:	10.2
Dipole, Da:	3.79
IP(EA), eV:	-9.16(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexyl-4-[(E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)prop-2-enoyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NN1CC2=CC=CC(=C2)CNC(=O)/C=C/C3=CC(=C(C=C3)OC4=CN=CC=C4)F)C

DOS

IR

Vibrations