Geometry & MOs

Info

ID:	148168
PubChem CID:	53787830
Reduced:	NOF2H7C12 (1)
Stoich.:	ABC2D7E12 (1)
Weight, g/mol:	236.00481
ΔH_f, kcal/mol:	-62.85
Dipole, Da:	5.99
IP(EA), eV:	-10.1(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-bromo-3-methoxypent-2-enoate

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)F)C2=CN=CC(=C2)C=O)F

DOS

IR

Vibrations