Geometry & MOs

Info

ID:	344109
PubChem CID:	127267285
Reduced:	FN3O3C11H16 (1)
Stoich.:	AB3C3D11E16 (1)
Weight, g/mol:	349.135031
ΔH_f, kcal/mol:	-149.48
Dipole, Da:	5.58
IP(EA), eV:	-9.02(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-(3,5-difluorophenyl)-2-methylpyrazol-3-yl]-3-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]urea

Drug info:

PubChemData

Smile

CC(C(OC)OC)NC(=O)NC1=NC=C(C=C1)F

DOS

IR

Vibrations