Geometry & MOs

Info

ID:	249727
PubChem CID:	103091658
Reduced:	NF4C12H13 (1)
Stoich.:	AB4C12D13 (1)
Weight, g/mol:	176.131349
ΔH_f, kcal/mol:	-190.56
Dipole, Da:	3.38
IP(EA), eV:	-9.54(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-methyl-4-(4-methylpyridin-3-yl)but-3-en-2-amine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations