Geometry & MOs

Info

ID:	150184
PubChem CID:	53789871
Reduced:	NO3C21H27 (1)
Stoich.:	AB3C21D27 (1)
Weight, g/mol:	508.282489
ΔH_f, kcal/mol:	-136.8
Dipole, Da:	4.87
IP(EA), eV:	-9.3(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[3-[4-(2,2-dimethylpropanoyloxy)-5-propan-2-yl-2-propoxyphenyl]prop-2-enoyl]phenyl] 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)C=C(CC(=O)N2C[C@H]3CCCC[C@H]3C2)C(=O)O

DOS

IR

Vibrations