Geometry & MOs

Info

ID:	68655
PubChem CID:	46508844
Reduced:	N3O5C24H27 (1)
Stoich.:	A3B5C24D27 (1)
Weight, g/mol:	441.187541
ΔH_f, kcal/mol:	-95.25
Dipole, Da:	4.27
IP(EA), eV:	-8.67(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-methylspiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]-7-yl)-N-(2,2,2-trifluoroethylcarbamoyl)acetamide

Drug info:

PubChemData

Smile

CC1C2=CC3=C(C=C2C4(CCCC4)CN1CC(=O)NC5=CC=CC=C5[N+](=O)[O-])OCCO3

DOS

IR

Vibrations