Geometry & MOs

Info

ID:	185654
PubChem CID:	77326019
Reduced:	O4N5C31H39 (1)
Stoich.:	A4B5C31D39 (1)
Weight, g/mol:	352.188589
ΔH_f, kcal/mol:	-85.05
Dipole, Da:	7.74
IP(EA), eV:	-8.6(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-(3-hydroxycyclohexyl)-2-methoxyphenyl]-6-methyloxane-3,4,5-triol

Drug info:

PubChemData

Smile

CN(C(=O)COCC1CCCN1)N(C(=O)N)NC(CCC2=CC=CC=C2)C(=O)CCC3=CC4=CC=CC=C4C=C3

DOS

IR

Vibrations