Geometry & MOs

Info

ID:	68654
PubChem CID:	46508842
Reduced:	ON2C6H8 (3)
Stoich.:	AB2C6D8 (3)
Weight, g/mol:	437.195071
ΔH_f, kcal/mol:	-47.87
Dipole, Da:	4.73
IP(EA), eV:	-8.65(-0.54)
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-nitrophenyl)acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NOC(=N2)CN3CCN(CC3)CCC(=O)NC(=O)N

DOS

IR

Vibrations