Geometry & MOs

Info

ID:	232425
PubChem CID:	87576161
Reduced:	N4H16C21 (1)
Stoich.:	A4B16C21 (1)
Weight, g/mol:	395.109978
ΔH_f, kcal/mol:	212.05
Dipole, Da:	1.85
IP(EA), eV:	-7.94(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-chloro-1'-[4-(difluoromethoxy)phenyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol

Drug info:

PubChemData

Smile

C=C1C=C2/C=C\3/C=C/C(=C/C4=N/C(=C\C5=NC(=CC1N2)C=C5)/C=C4)/N3

DOS

IR

Vibrations