Geometry & MOs

Info

ID:	438866
PubChem CID:	135228624
Reduced:	ON4C31H42 (1)
Stoich.:	AB4C31D42 (1)
Weight, g/mol:	418.299557
ΔH_f, kcal/mol:	12.56
Dipole, Da:	7.01
IP(EA), eV:	-7.71(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[3-[2-fluoro-6-[(E)-2-(methylideneamino)ethenyl]cyclohexyl]-1-hydroxypropyl]cyclohexyl]cyclohex-2-ene-1-carboxamide

Drug info:

PubChemData

Smile

CCC1=C(C=C2CC(N3C=C(C(=C)C=C3C2=C1)C(=C)O)C(C)(C)C)/C(=C/N)/C=NC4CCN(CC4)C

DOS

IR

Vibrations