Geometry & MOs

Info

ID:	343125
PubChem CID:	127266298
Reduced:	O3N4C16H20 (1)
Stoich.:	A3B4C16D20 (1)
Weight, g/mol:	310.144119
ΔH_f, kcal/mol:	-90.9
Dipole, Da:	4.49
IP(EA), eV:	-8.99(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(carbamoylamino)-4-fluorophenyl]-3-[(3-methyloxolan-3-yl)methyl]urea

Drug info:

PubChemData

Smile

CCCOC1=NC=C(C=C1)CNC(=O)NC2=CC(=O)N(C=C2)C

DOS

IR

Vibrations