Geometry & MOs

Info

ID:	170431
PubChem CID:	75231912
Reduced:	O2N4H10C13 (1)
Stoich.:	A2B4C10D13 (1)
Weight, g/mol:	341.147452
ΔH_f, kcal/mol:	57.7
Dipole, Da:	2.48
IP(EA), eV:	-8.68(-2.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethyl]acetamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)OC2C=CN=C3C2=NC(=O)C=N3)N

DOS

IR

Vibrations