Geometry & MOs

Info

ID:	314756
PubChem CID:	126623011
Reduced:	BrO3N7H26C27 (1)
Stoich.:	AB3C7D26E27 (1)
Weight, g/mol:	310.10659
ΔH_f, kcal/mol:	1.2
Dipole, Da:	11.42
IP(EA), eV:	-8.74(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-acetyl-5-(5-methylpyrazin-2-yl)indazol-1-yl]acetic acid

Drug info:

PubChemData

Smile

CC1=NC=C(C=N1)C2=CC3=C(C=C2)N(N=C3C(=O)C)CC(=O)N4CCCC[C@H]4C(=O)NC5=NC(=CC=C5)Br

DOS

IR

Vibrations