Geometry & MOs

Info

ID:	146915
PubChem CID:	53771247
Reduced:	N3C8H9 (1)
Stoich.:	A3B8C9 (1)
Weight, g/mol:	264.058499
ΔH_f, kcal/mol:	58.75
Dipole, Da:	2.14
IP(EA), eV:	-8.65(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propyl 4,4,4-trifluoro-2-methylidene-3-(trifluoromethyl)butanoate

Drug info:

PubChemData

Smile

C1CN=C2C=CC=CN2C1=N

DOS

IR

Vibrations