Geometry & MOs

Info

ID:	80923
PubChem CID:	49853906
Reduced:	BrO3C24H27 (1)
Stoich.:	AB3C24D27 (1)
Weight, g/mol:	420.197297
ΔH_f, kcal/mol:	-93.89
Dipole, Da:	6.43
IP(EA), eV:	-9.56(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 4-[[1-(4-cyano-2,5-difluorophenyl)piperidin-4-ylidene]amino]oxypiperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC1(CCC(C2=C1C=CC(=C2)C(=O)COC3=CC=C(C=C3)C(=O)CBr)(C)C)C

DOS

IR

Vibrations