Geometry & MOs

Info

ID:	32723
PubChem CID:	7847351
Reduced:	ClNF3O4H13C17 (1)
Stoich.:	ABC3D4E13F17 (1)
Weight, g/mol:	148.112624
ΔH_f, kcal/mol:	-275.86
Dipole, Da:	3.16
IP(EA), eV:	-9.11(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

methyl-[(E)-3-phenylprop-2-enyl]azanium

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(F)(F)F)NC(=O)COC(=O)COC2=CC=CC=C2Cl

DOS

IR

Vibrations