Geometry & MOs

Info

ID:	250041
PubChem CID:	103093758
Reduced:	ClN3C15H20 (1)
Stoich.:	AB3C15D20 (1)
Weight, g/mol:	271.154784
ΔH_f, kcal/mol:	38.78
Dipole, Da:	4.62
IP(EA), eV:	-8.65(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-methyl-N-propyl-4-[3-(trifluoromethyl)phenyl]but-3-en-2-amine

Drug info:

PubChemData

Smile

CCCNC(C)/C(=C/C1=C(N=C2N1C=CC=C2)Cl)/C

DOS

IR

Vibrations