Geometry & MOs

Info

ID:	249762
PubChem CID:	103091923
Reduced:	NOC10H19 (1)
Stoich.:	ABC10D19 (1)
Weight, g/mol:	213.072055
ΔH_f, kcal/mol:	-58.13
Dipole, Da:	1.77
IP(EA), eV:	-9.33(0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-(4-chloro-3-fluorophenyl)-3-methylbut-3-en-2-amine

Drug info:

PubChemData

Smile

CC(C(=CC1CCOCC1)C)N

DOS

IR

Vibrations