Geometry & MOs

Info

ID:	129105
PubChem CID:	51070256
Reduced:	FN2O2H23C26 (1)
Stoich.:	AB2C2D23E26 (1)
Weight, g/mol:	382.144806
ΔH_f, kcal/mol:	-10.31
Dipole, Da:	3.03
IP(EA), eV:	-9.11(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-[[5-(2,5-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-N-propylbenzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)C2=CC(=NO2)CN(CC3=CC=CC=C3)C(=O)C4=CC=C(C=C4)F

DOS

IR

Vibrations