Geometry & MOs

Info

ID:	328020
PubChem CID:	126691762
Reduced:	BrFOC11H12 (1)
Stoich.:	ABCD11E12 (1)
Weight, g/mol:	220.99639
ΔH_f, kcal/mol:	-84.98
Dipole, Da:	3.4
IP(EA), eV:	-9.6(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(bromoamino)-N'-(3-fluorobuta-1,3-dien-2-yl)ethanimidamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1F)Br)CCC(=O)C

DOS

IR

Vibrations