Geometry & MOs

Info

ID:	249846
PubChem CID:	103092480
Reduced:	BrClNC12H15 (1)
Stoich.:	ABCD12E15 (1)
Weight, g/mol:	179.131014
ΔH_f, kcal/mol:	16.74
Dipole, Da:	1.74
IP(EA), eV:	-8.99(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-ethyl-4-(5-methylfuran-2-yl)but-3-en-2-amine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations