Geometry & MOs

Info

ID:	129102
PubChem CID:	51070253
Reduced:	N2O3C22H26 (1)
Stoich.:	A2B3C22D26 (1)
Weight, g/mol:	404.153621
ΔH_f, kcal/mol:	-43.71
Dipole, Da:	5.84
IP(EA), eV:	-9.3(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[5-(2,5-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-3-fluoro-N-(furan-2-ylmethyl)benzamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations