Geometry & MOs

Info

ID:	224913
PubChem CID:	85695113
Reduced:	SN4C8H20 (1)
Stoich.:	AB4C8D20 (1)
Weight, g/mol:	252.133714
ΔH_f, kcal/mol:	4.91
Dipole, Da:	6.88
IP(EA), eV:	-8.3(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-(trifluoromethyl)hept-2-enoate

Drug info:

PubChemData

Smile

CNCCNC(=S)NCCN(C)C

DOS

IR

Vibrations