Geometry & MOs

Info

ID:	225324
PubChem CID:	85756476
Reduced:	N4H16C21 (1)
Stoich.:	A4B16C21 (1)
Weight, g/mol:	347.088161
ΔH_f, kcal/mol:	193.47
Dipole, Da:	3.51
IP(EA), eV:	-8.84(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(1,3-oxazol-5-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C#CCN(C2=CC=CC=C2)C3=CC=CC=C3N=[N+]=[N-]

DOS

IR

Vibrations