Geometry & MOs

Info

ID:	444235
PubChem CID:	135261822
Reduced:	N4O5C23H26 (1)
Stoich.:	A4B5C23D26 (1)
Weight, g/mol:	168.059801
ΔH_f, kcal/mol:	-161.72
Dipole, Da:	6.28
IP(EA), eV:	-8.69(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

carbonic acid;1,4-difluoro-2-methylbut-2-ene

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC3=C(C=C2)C(=O)N(C3=O)C4=CN=C(C=C4)OC

DOS

IR

Vibrations