Geometry & MOs

Info

ID:	249989
PubChem CID:	103093339
Reduced:	ClFNC13H17 (1)
Stoich.:	ABCD13E17 (1)
Weight, g/mol:	257.073805
ΔH_f, kcal/mol:	-43.12
Dipole, Da:	3.28
IP(EA), eV:	-9.12(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-(3,4-dichlorophenyl)-N-ethyl-3-methylbut-3-en-2-amine

Drug info:

PubChemData

Smile

CCNC(C)/C(=C/C1=CC(=CC(=C1)Cl)F)/C

DOS

IR

Vibrations