Geometry & MOs

Info

ID:	432635
PubChem CID:	135172771
Reduced:	INOC30H42 (1)
Stoich.:	ABCD30E42 (1)
Weight, g/mol:	600.291003
ΔH_f, kcal/mol:	-38.71
Dipole, Da:	3.6
IP(EA), eV:	-8.77(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[2-[2-(hydroxymethyl)prop-2-enoyloxy]ethoxy]-5-[4-(7,7,7-trifluoroheptyl)cyclohexyl]phenoxy]ethyl 2-(hydroxymethyl)prop-2-enoate

Drug info:

PubChemData

Smile

CCC1CCCC(C(CCCC1CC)CC2=CC(=CC=C2)NC(=O)C3=CC=CC=C3I)CC

DOS

IR

Vibrations