Geometry & MOs

Info

ID:	181436
PubChem CID:	76747709
Reduced:	ON2C10H12 (2)
Stoich.:	AB2C10D12 (2)
Weight, g/mol:	370.180504
ΔH_f, kcal/mol:	-41.53
Dipole, Da:	4.73
IP(EA), eV:	-8.51(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[1-(2-amino-4,5-dihydro-1,3-oxazol-4-yl)butan-2-yl]phenyl]-3-(4-fluorophenyl)urea

Drug info:

PubChemData

Smile

CC1C(N=C(O1)N)CCC2=CC=C(C=C2)NC(=O)C3=CC(=CC(=N3)C)C

DOS

IR

Vibrations