Geometry & MOs

Info

ID:	171810
PubChem CID:	75428631
Reduced:	N4C21H30 (1)
Stoich.:	A4B21C30 (1)
Weight, g/mol:	334.132669
ΔH_f, kcal/mol:	44.14
Dipole, Da:	3.18
IP(EA), eV:	-8.76(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[methyl(1-methylsulfanylpropan-2-yl)amino]-N-[2-(trifluoromethyl)phenyl]propanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)CNC2CCN(CC2)CC3=CN=CC=C3)N(C)C

DOS

IR

Vibrations