Geometry & MOs

Info

ID:	249823
PubChem CID:	103092299
Reduced:	FNC13H18 (1)
Stoich.:	ABC13D18 (1)
Weight, g/mol:	229.107834
ΔH_f, kcal/mol:	-32.45
Dipole, Da:	2.76
IP(EA), eV:	-8.98(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-ethyl-4-(3,4,5-trifluorophenyl)but-3-en-2-amine

Drug info:

PubChemData

Smile

CCNC(C)/C=C/C1=CC(=C(C=C1)C)F

DOS

IR

Vibrations