Geometry & MOs

Info

ID:	47925
PubChem CID:	10535859
Reduced:	N3C11H21 (1)
Stoich.:	A3B11C21 (1)
Weight, g/mol:	196.071114
ΔH_f, kcal/mol:	17.94
Dipole, Da:	4.02
IP(EA), eV:	-9.75(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(trifluoromethyl)pent-4-enoate

Drug info:

PubChemData

Smile

CC[C@]1(C[C@@H](C[C@](C1)(C)N=[N+]=[N-])C)C

DOS

IR

Vibrations