Geometry & MOs

Info

ID:	322575
PubChem CID:	126670556
Reduced:	ON4H34C41 (1)
Stoich.:	AB4C34D41 (1)
Weight, g/mol:	312.12224
ΔH_f, kcal/mol:	111.55
Dipole, Da:	1.67
IP(EA), eV:	-8.09(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(1-hydroxyethyl)-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid

Drug info:

PubChemData

Smile

CC1=CC2=C3C(=C1)C(C4=C(N3C5=C2C=CC(=C5)OC6=CC=CC(=C6)N7C8=CC=CC=C8C(C9=C7N=CC=C9)(C)C)N=CC=C4)(C)C

DOS

IR

Vibrations