Geometry & MOs

Info

ID:	323376
PubChem CID:	126674641
Reduced:	O7C30H42 (1)
Stoich.:	A7B30C42 (1)
Weight, g/mol:	426.15149
ΔH_f, kcal/mol:	-267.45
Dipole, Da:	3.96
IP(EA), eV:	-9.5(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-methoxy-5-(trifluoromethoxy)phenyl]-3-(4-pyrimidin-2-yloxycyclohexyl)urea

Drug info:

PubChemData

Smile

CC1=C(C(=O)OC(C1)[C@@H](C)C2CCC3[C@@]2(CCC4C3CO[C@@]5([C@@]4(C(=O)C=C[C@H]5OC(=O)C)C)C)C)CO

DOS

IR

Vibrations