Geometry & MOs

Info

ID:	43175
PubChem CID:	10319060
Reduced:	N3C12H16 (2)
Stoich.:	A3B12C16 (2)
Weight, g/mol:	405.168856
ΔH_f, kcal/mol:	55.98
Dipole, Da:	4.64
IP(EA), eV:	-8.18(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indazol-2-yl]butanoic acid

Drug info:

PubChemData

Smile

CC(C)C1=NN2C(=C1C3=NC(=NC=C3)NC4CCCC4)C=CC=C2NC5CCCC5

DOS

IR

Vibrations