Geometry & MOs

Info

ID:	249968
PubChem CID:	103093197
Reduced:	NC4H7 (3)
Stoich.:	AB4C7 (3)
Weight, g/mol:	241.103355
ΔH_f, kcal/mol:	17.44
Dipole, Da:	4.2
IP(EA), eV:	-8.82(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCNC(C)C(=CC1=CN=CN1CC)C

DOS

IR

Vibrations