Geometry & MOs

Info

ID:	139265
PubChem CID:	52500957
Reduced:	N2O4C27H28 (1)
Stoich.:	A2B4C27D28 (1)
Weight, g/mol:	363.207253
ΔH_f, kcal/mol:	-95.32
Dipole, Da:	1.92
IP(EA), eV:	-8.8(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

7-methyl-4-[[(2R)-2-[(N-methylanilino)methyl]pyrrolidin-1-ium-1-yl]methyl]chromen-2-one

Drug info:

PubChemData

Smile

C[C@H](CC1=CC=CC=C1OC)N(CC2=CC=CC=C2)C(=O)CCN3C4=CC=CC=C4OC3=O

DOS

IR

Vibrations