Geometry & MOs

Info

ID:	45818
PubChem CID:	10517851
Reduced:	ClN3H12C17 (1)
Stoich.:	AB3C12D17 (1)
Weight, g/mol:	294.100442
ΔH_f, kcal/mol:	115.81
Dipole, Da:	8.34
IP(EA), eV:	-9.47(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

phenyl N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]carbamate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2=C(C(=NN2C3=CC=CC=C3)C#N)Cl

DOS

IR

Vibrations