Geometry & MOs

Info

ID:	322663
PubChem CID:	126670754
Reduced:	OF3N3C12H14 (1)
Stoich.:	AB3C3D12E14 (1)
Weight, g/mol:	277.186421
ΔH_f, kcal/mol:	-133.24
Dipole, Da:	4.53
IP(EA), eV:	-10.2(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,3-dimethyl-4-phenylbutyl)-N,2-dimethylpropanethioamide

Drug info:

PubChemData

Smile

CC(C)NC(=O)C1=CC=C(C=C1)C2(NN2)C(F)(F)F

DOS

IR

Vibrations