Geometry & MOs

Info

ID:	132773
PubChem CID:	51418551
Reduced:	O2N3C16H23 (1)
Stoich.:	A2B3C16D23 (1)
Weight, g/mol:	382.178511
ΔH_f, kcal/mol:	-86.44
Dipole, Da:	3.34
IP(EA), eV:	-8.94(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-(4-chlorocyclohexyl)-4-hydroxy-8-(morpholin-4-ium-4-ylmethyl)-5,6,8,8a-tetrahydrochromen-7-one

Drug info:

PubChemData

Smile

CCCCNC(=O)[C@H]1CCCN1C(=O)NC2=CC=CC=C2

DOS

IR

Vibrations