Geometry & MOs

Info

ID:	184674
PubChem CID:	77191654
Reduced:	N2O4C33H34 (1)
Stoich.:	A2B4C33D34 (1)
Weight, g/mol:	520.272593
ΔH_f, kcal/mol:	-73.27
Dipole, Da:	3.61
IP(EA), eV:	-8.75(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-methyl-3-[4-[1-[1-(oxan-2-yl)indazol-5-yl]-2-phenylbut-1-enyl]phenyl]prop-2-enoate

Drug info:

PubChemData

Smile

CCC(=C(C1=CC=C(C=C1)C=CC(=O)OCC)C2=CC3=C(C=C2)N(N=C3)C4CCCCO4)C5=CC(=CC=C5)O

DOS

IR

Vibrations