Geometry & MOs

Info

ID:	59093
PubChem CID:	24770890
Reduced:	F3O3N4C24H27 (1)
Stoich.:	A3B3C4D24E27 (1)
Weight, g/mol:	448.208611
ΔH_f, kcal/mol:	-238.94
Dipole, Da:	2.29
IP(EA), eV:	-8.52(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[2-(4-hydroxy-3,3-dimethylbutyl)-4-(trifluoromethyl)phenyl]methyl]-3-(1-methylindazol-4-yl)urea

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations