Geometry & MOs

Info

ID:	137535
PubChem CID:	52222483
Reduced:	O3N4H22C24 (1)
Stoich.:	A3B4C22D24 (1)
Weight, g/mol:	414.15149
ΔH_f, kcal/mol:	7.51
Dipole, Da:	3.76
IP(EA), eV:	-9.45(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,3-benzodioxol-5-ylmethyl)-1-methyl-3-[(3R)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]urea

Drug info:

PubChemData

Smile

C[C@@H](C1=NC(=NO1)C2=CN=CC=C2)OC(=O)C3=C4CCCCCC4=NC5=CC=CC=C53

DOS

IR

Vibrations