Geometry & MOs

Info

ID:	444263
PubChem CID:	135261916
Reduced:	FN5O7H40C42 (1)
Stoich.:	AB5C7D40E42 (1)
Weight, g/mol:	172.034729
ΔH_f, kcal/mol:	-197.18
Dipole, Da:	6.64
IP(EA), eV:	-8.69(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

carbonic acid;1,3,3-trifluoro-2-methylprop-1-ene

Drug info:

PubChemData

Smile

C1CC2=C(C=CC(=C2)O)[C@H]([C@H]1C3=CC=C(C=C3)F)C4=CC=C(C=C4)OCCN5CCC(C5)OC6=NC=C(C=C6)OC7=CC(=O)N(N=C7)C8CCC(=O)NC8=O

DOS

IR

Vibrations