Geometry & MOs

Info

ID:	38202
PubChem CID:	8027962
Reduced:	N2O5C22H31 (1)
Stoich.:	A2B5C22D31 (1)
Weight, g/mol:	403.223297
ΔH_f, kcal/mol:	-179.15
Dipole, Da:	5.15
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752548
Charge, e:	1

Chem-info

IUPAC name:

(2R)-N-(3-morpholin-4-ium-4-ylpropyl)-2-(3,4,7-trimethyl-2-oxochromen-5-yl)oxypropanamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C(=C(C(=O)O2)C)C)C(=C1)O[C@@H](C)C(=O)NCCC[NH+]3CCOCC3

DOS

IR

Vibrations