Geometry & MOs

Info

ID:	444276
PubChem CID:	135261940
Reduced:	ClO6N7C44H54 (1)
Stoich.:	AB6C7D44E54 (1)
Weight, g/mol:	218.056607
ΔH_f, kcal/mol:	-183.7
Dipole, Da:	10.73
IP(EA), eV:	-8.72(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

carbonic acid;1,4-difluoro-2,3-bis(fluoromethyl)but-2-ene

Drug info:

PubChemData

Smile

CCN(C1CCC(=O)NC1=O)C(=O)C2=CC=C(C=C2)OCCCCCN3CCN(CC3)C4=NC=C(C=C4)C(=O)NC5C(C(C5(C)C)OC6=CC(=C(C=C6)C#N)Cl)(C)C

DOS

IR

Vibrations