Geometry & MOs

Info

ID:	363587
PubChem CID:	127311666
Reduced:	FN3O4C20H20 (1)
Stoich.:	AB3C4D20E20 (1)
Weight, g/mol:	264.133474
ΔH_f, kcal/mol:	-162.69
Dipole, Da:	1.69
IP(EA), eV:	-8.39(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[1-(1,2,4-triazol-1-yl)propan-2-yl]urea

Drug info:

PubChemData

Smile

CC1(OC2=C(O1)C=C(C=C2)NC(=O)NC3CCN(C3=O)C4=CC=CC=C4F)C

DOS

IR

Vibrations