Geometry & MOs

Info

ID:	147737
PubChem CID:	53787395
Reduced:	N2F3O5H11C18 (1)
Stoich.:	A2B3C5D11E18 (1)
Weight, g/mol:	289.11365
ΔH_f, kcal/mol:	-214.67
Dipole, Da:	8.5
IP(EA), eV:	-9.88(-1.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[3-(hydroxymethyl)-2,4-dimethylphenyl]-4-methylthiophen-2-yl]acetamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)N2C=C(C3=C2C=CC(=C3C(F)(F)F)[N+](=O)[O-])CC(=O)O

DOS

IR

Vibrations