Geometry & MOs

Info

ID:	249761
PubChem CID:	103091919
Reduced:	ClN3C12H14 (1)
Stoich.:	AB3C12D14 (1)
Weight, g/mol:	169.146664
ΔH_f, kcal/mol:	48.36
Dipole, Da:	4.78
IP(EA), eV:	-8.85(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-(oxan-4-yl)but-3-en-2-amine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations