Geometry & MOs

Info

ID:	229313
PubChem CID:	87567395
Reduced:	BrNOC9H18 (1)
Stoich.:	ABCD9E18 (1)
Weight, g/mol:	509.232599
ΔH_f, kcal/mol:	-58.35
Dipole, Da:	9.76
IP(EA), eV:	-8.03(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[3-[4-[(E)-2-(4-fluorophenyl)-3-morpholin-4-yl-3-oxoprop-1-enyl]phenyl]prop-2-enoylamino]-N-hydroxyhexanamide

Drug info:

PubChemData

Smile

CC[N+]1(CCCC(=O)C1)CC.[Br-]

DOS

IR

Vibrations