Geometry & MOs

Info

ID:	192298
PubChem CID:	78254339
Reduced:	O2N5C23H23 (1)
Stoich.:	A2B5C23D23 (1)
Weight, g/mol:	469.233862
ΔH_f, kcal/mol:	-1.61
Dipole, Da:	6.17
IP(EA), eV:	-8.48(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

methyl 4-[2-(3-morpholin-4-ium-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

CC1=CC=C(C=C1)CN2C(=O)C3=[N+]4CCCN(C4=NC3=[N+](C2=O)C)C5=CC=CC=C5

DOS

IR

Vibrations