Geometry & MOs

Info

ID:	311884
PubChem CID:	126598748
Reduced:	ON2C35H52 (1)
Stoich.:	AB2C35D52 (1)
Weight, g/mol:	442.125275
ΔH_f, kcal/mol:	-89.06
Dipole, Da:	4.32
IP(EA), eV:	-8.95(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-5-[6-[[3-(trifluoromethoxy)phenyl]methylamino]pyridin-3-yl]indazole-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=CCC3(C4CCC5C6CCCC6(CC[C@]5(C4(CCC3C2(C)C)C)C)NC(=O)NC)C

DOS

IR

Vibrations