Geometry & MOs

Info

ID:	129104
PubChem CID:	51070255
Reduced:	ClN2O3H21C24 (1)
Stoich.:	AB2C3D21E24 (1)
Weight, g/mol:	414.174356
ΔH_f, kcal/mol:	-0.69
Dipole, Da:	2.28
IP(EA), eV:	-9.13(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)C2=CC(=NO2)CN(CC3=CC=CO3)C(=O)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations