Geometry & MOs

Info

ID:	249966
PubChem CID:	103093180
Reduced:	OSN3C12H21 (1)
Stoich.:	ABC3D12E21 (1)
Weight, g/mol:	207.142328
ΔH_f, kcal/mol:	-9.28
Dipole, Da:	2.26
IP(EA), eV:	-8.15(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-(4-fluoro-3-methylphenyl)-N,3-dimethylbut-3-en-2-amine

Drug info:

PubChemData

Smile

CC(C(=CC1=C(N=C(S1)N(C)C)OC)C)NC

DOS

IR

Vibrations