Geometry & MOs

Info

ID:	192299
PubChem CID:	78254340
Reduced:	N2O6C26H33 (1)
Stoich.:	A2B6C26D33 (1)
Weight, g/mol:	468.226037
ΔH_f, kcal/mol:	-204.95
Dipole, Da:	5.43
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.803659
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[2-(3-morpholin-4-ylpropyl)-3,9-dioxo-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrol-1-yl]benzoate

Drug info:

PubChemData

Smile

COC(=O)C1=CC=C(C=C1)C2C3=C(C(=O)N2CCC[NH+]4CCOCC4)OC5CCCCC5C3=O

DOS

IR

Vibrations