Geometry & MOs

Info

ID:	163086
PubChem CID:	57636793
Reduced:	O2F3N4H17C22 (1)
Stoich.:	A2B3C4D17E22 (1)
Weight, g/mol:	155.069477
ΔH_f, kcal/mol:	-116.72
Dipole, Da:	3.77
IP(EA), eV:	-8.52(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-(1,3-oxazol-4-ylmethyl)urea

Drug info:

PubChemData

Smile

C1[C@@H]2[C@@H]([C@@H]2NC(=O)NC3=NC=C(C=C3)NC4=CC(=CC=C4)F)C5=C(C=CC(=C5O1)F)F

DOS

IR

Vibrations