Geometry & MOs

Info

ID:	206315
PubChem CID:	80229541
Reduced:	NC9H15 (2)
Stoich.:	AB9C15 (2)
Weight, g/mol:	317.049748
ΔH_f, kcal/mol:	-11.31
Dipole, Da:	1.89
IP(EA), eV:	-8.56(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-N-[(4-methylthiophen-3-yl)methyl]-5-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

CC1(CCC(CC1)N(C)CC2=CC=C(C=C2)CCN)C

DOS

IR

Vibrations