Geometry & MOs

Info

ID:	163419
PubChem CID:	57939436
Reduced:	O2N3F7C26H28 (1)
Stoich.:	A2B3C7D26E28 (1)
Weight, g/mol:	132.089878
ΔH_f, kcal/mol:	-426.05
Dipole, Da:	5.96
IP(EA), eV:	-9.43(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R)-1-hydroxypropan-2-yl]-3-methylurea

Drug info:

PubChemData

Smile

CCC(=O)N[C@H]1CCN([C@@H](C1)C2=C(C=C(C=C2)F)C)C(=O)N(C)CC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations