Geometry & MOs

Info

ID:	424941
PubChem CID:	135124516
Reduced:	O3N4H18C20 (1)
Stoich.:	A3B4C18D20 (1)
Weight, g/mol:	458.220557
ΔH_f, kcal/mol:	-14.01
Dipole, Da:	2.24
IP(EA), eV:	-9.17(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-(1,4-dimethylindazol-5-yl)-3-[3-[(4-methoxyphenyl)methoxymethyl]-4-methylphenyl]propanoic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC2=C1N=NN2C)C=CC(=O)N3C(COC3=O)C4=CC=CC=C4

DOS

IR

Vibrations