Geometry & MOs

Info

ID:	437114
PubChem CID:	135214901
Reduced:	NO4C33H51 (1)
Stoich.:	AB4C33D51 (1)
Weight, g/mol:	577.335608
ΔH_f, kcal/mol:	-199.11
Dipole, Da:	5.43
IP(EA), eV:	-9.16(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[3-fluoro-4-[6-[4-(4-pentylcyclohexyl)phenyl]naphthalen-2-yl]phenoxy]ethyl]-N-methylprop-2-enamide

Drug info:

PubChemData

Smile

CCCCCC1CCC(CC1)C2COC(OC2)C3=CC=C(C=C3)C4CCC(CC4)OCCN(C)C(=O)C=C

DOS

IR

Vibrations