Geometry & MOs

Info

ID:	352267
PubChem CID:	127283351
Reduced:	N2O5C22H22 (1)
Stoich.:	A2B5C22D22 (1)
Weight, g/mol:	394.189257
ΔH_f, kcal/mol:	-164.85
Dipole, Da:	1.21
IP(EA), eV:	-8.28(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-(6-methylspiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]-7-carbonyl)pyridin-2-one

Drug info:

PubChemData

Smile

CC1C(=O)NC2=CC=CC(=C2O1)C(=O)NC3=CC4=C(C=C3)OC5(O4)CCCCC5

DOS

IR

Vibrations