Geometry & MOs

Info

ID:	309074
PubChem CID:	126536183
Reduced:	O2N6C27H28 (1)
Stoich.:	A2B6C27D28 (1)
Weight, g/mol:	444.204907
ΔH_f, kcal/mol:	55.43
Dipole, Da:	4.74
IP(EA), eV:	-7.76(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[4-[4-[(5-tert-butyl-1,3-oxazol-2-yl)amino]phenyl]phenyl]-2-oxabicyclo[3.1.1]hept-4-en-1-yl]acetic acid

Drug info:

PubChemData

Smile

CC1=C(N=C(C2=NC=CN12)N(C)C3=CC(=C(C=C3)N4CCOCC4)OC)C5=CC6=C(C=C5)C=CN6

DOS

IR

Vibrations