Geometry & MOs

Info

ID:	371659
PubChem CID:	131270183
Reduced:	FNCl2C11H12 (1)
Stoich.:	ABC2D11E12 (1)
Weight, g/mol:	211.1361
ΔH_f, kcal/mol:	-39.03
Dipole, Da:	1.29
IP(EA), eV:	-9.66(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-3-methyl-1-naphthalen-1-ylbut-3-en-1-amine

Drug info:

PubChemData

Smile

CC(=C)C[C@H](C1=C(C=CC(=C1F)Cl)Cl)N

DOS

IR

Vibrations