Geometry & MOs

Info

ID:	375972
PubChem CID:	134221970
Reduced:	PC10O12H21 (1)
Stoich.:	AB10C12D21 (1)
Weight, g/mol:	386.163043
ΔH_f, kcal/mol:	-610.22
Dipole, Da:	4.96
IP(EA), eV:	-10.55(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-methyl-4-(4-methylphenyl)-1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]acetic acid

Drug info:

PubChemData

Smile

C(C1C(C(C(O1)OCC(C(C(CO)O)O)O)OP(=O)(O)O)O)O

DOS

IR

Vibrations