Geometry & MOs

Info

ID:	429217
PubChem CID:	135169095
Reduced:	O3N8C24H32 (1)
Stoich.:	A3B8C24D32 (1)
Weight, g/mol:	270.119127
ΔH_f, kcal/mol:	-52.93
Dipole, Da:	5.83
IP(EA), eV:	-8.89(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]-3-(hydroperoxymethyl)urea

Drug info:

PubChemData

Smile

CC[C@H](C1CCCCC1)NC(=O)N2[C@@H](C(C2=O)CC3=CC(=NC=C3)N)C(=O)N(C)C4=NC=NC=N4

DOS

IR

Vibrations