Geometry & MOs

Info

ID:	322388
PubChem CID:	126669978
Reduced:	N3O5C27H39 (1)
Stoich.:	A3B5C27D39 (1)
Weight, g/mol:	252.132572
ΔH_f, kcal/mol:	-130.83
Dipole, Da:	10.23
IP(EA), eV:	-8.83(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-cyclobutylideneethyl)-4-(1,1-difluoro-2-methoxyethyl)benzene

Drug info:

PubChemData

Smile

CC(=CC[C@@H]1[C@@](O1)(C)C2[C@@H]([C@@H](CC[C@]23CO3)OC(=O)N4CC(C4)CC5=CN=C(C=C5)NC)OC)C

DOS

IR

Vibrations