Geometry & MOs

Info

ID:	318180
PubChem CID:	126649435
Reduced:	OC3H5 (4)
Stoich.:	AB3C5 (4)
Weight, g/mol:	452.191149
ΔH_f, kcal/mol:	-186.7
Dipole, Da:	4.36
IP(EA), eV:	-9.72(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-[4-(1,1-difluoro-2-hydroxyethyl)phenyl]acetyl]amino]-N-(3,5-dimethylphenyl)-N-methylbenzamide

Drug info:

PubChemData

Smile

CC(=CCO)CCC=C(C)CC(C(=O)O)O

DOS

IR

Vibrations