Geometry & MOs

Info

ID:	314804
PubChem CID:	126623323
Reduced:	BrFON4C10H12 (1)
Stoich.:	ABCD4E10F12 (1)
Weight, g/mol:	325.117489
ΔH_f, kcal/mol:	-55.2
Dipole, Da:	2.24
IP(EA), eV:	-9.41(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC=C(N=C1Br)NC(=O)C2CC(CN2)F

DOS

IR

Vibrations