Geometry & MOs

Info

ID:	59094
PubChem CID:	24770891
Reduced:	O2F3N4C23H27 (1)
Stoich.:	A2B3C4D23E27 (1)
Weight, g/mol:	462.187875
ΔH_f, kcal/mol:	-195.68
Dipole, Da:	1.98
IP(EA), eV:	-8.46(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dimethyl-4-[2-[[(1-methylindazol-4-yl)carbamoylamino]methyl]-5-(trifluoromethyl)phenyl]butanoic acid

Drug info:

PubChemData

Smile

CC(C)(CCC1=C(C=CC(=C1)C(F)(F)F)CNC(=O)NC2=C3C=NN(C3=CC=C2)C)CO

DOS

IR

Vibrations