Geometry & MOs

Info

ID:	187030
PubChem CID:	77521794
Reduced:	N2O2F3C18H21 (1)
Stoich.:	A2B2C3D18E21 (1)
Weight, g/mol:	476.267508
ΔH_f, kcal/mol:	-208.94
Dipole, Da:	2.85
IP(EA), eV:	-9.24(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[3-[(2,5-diaminophenyl)methoxy]-3-oxoprop-1-enyl]phenyl] 4-hex-5-enylcyclohexane-1-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(C(CNCC2=CC=C(C=C2)OC(F)(F)F)O)N

DOS

IR

Vibrations