Geometry & MOs

Info

ID:	139808
PubChem CID:	52600894
Reduced:	NOF3C14H17 (1)
Stoich.:	ABC3D14E17 (1)
Weight, g/mol:	271.118399
ΔH_f, kcal/mol:	-109.64
Dipole, Da:	22.73
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.769126
Charge, e:	0

Chem-info

IUPAC name:

N-prop-2-enyl-N-[[4-(trifluoromethoxy)phenyl]methyl]prop-2-en-1-amine

Drug info:

PubChemData

Smile

C=CC[NH+](CC=C)CC1=CC=C(C=C1)OC(F)(F)F

DOS

IR

Vibrations