Geometry & MOs

Info

ID:	320571
PubChem CID:	126661801
Reduced:	FSN2H13C17 (1)
Stoich.:	ABC2D13E17 (1)
Weight, g/mol:	456.223535
ΔH_f, kcal/mol:	86.71
Dipole, Da:	5.05
IP(EA), eV:	-8.49(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(3-azaspiro[5.5]undecan-10-yl)phenyl]-1-(2-thiophen-2-yl-3-azabicyclo[4.1.0]hepta-2,4-dien-4-yl)prop-2-en-1-one

Drug info:

PubChemData

Smile

C#CCN(CC1=CC=C(C=C1)F)C2=CC=C(C=C2)N=C=S

DOS

IR

Vibrations