Geometry & MOs

Info

ID:	150830
PubChem CID:	53790526
Reduced:	O3N4H18C20 (1)
Stoich.:	A3B4C18D20 (1)
Weight, g/mol:	508.318875
ΔH_f, kcal/mol:	42.37
Dipole, Da:	8.59
IP(EA), eV:	-7.38(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[3-[5-tert-butyl-2,4-bis[(2-methylpropan-2-yl)oxy]phenyl]prop-2-enoyl]phenyl] 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

COCC1=C2C(=CNC1=C(N)N=O)NC3=C2C(=CC=C3)OC4=CC=CC=C4

DOS

IR

Vibrations