Geometry & MOs

Info

ID:	154433
PubChem CID:	56313871
Reduced:	N2F3O4C23H27 (1)
Stoich.:	A2B3C4D23E27 (1)
Weight, g/mol:	370.200491
ΔH_f, kcal/mol:	-280.67
Dipole, Da:	4.11
IP(EA), eV:	-8.47(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]piperidin-4-yl]-3-phenylurea

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)CCC(=O)NCC2=CC=C(C=C2)N3CCOCC3)OCC(F)(F)F

DOS

IR

Vibrations