Geometry & MOs

Info

ID:	249988
PubChem CID:	103093332
Reduced:	NC16H23 (1)
Stoich.:	AB16C23 (1)
Weight, g/mol:	241.103355
ΔH_f, kcal/mol:	27.66
Dipole, Da:	1.2
IP(EA), eV:	-8.92(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-(3-chloro-5-fluorophenyl)-N-ethyl-3-methylbut-3-en-2-amine

Drug info:

PubChemData

Smile

CCNC(C)/C(=C/C1=CC(=CC=C1)C2CC2)/C

DOS

IR

Vibrations