Geometry & MOs

Info

ID:	217768
PubChem CID:	85088357
Reduced:	NO5C23H27 (1)
Stoich.:	AB5C23D27 (1)
Weight, g/mol:	397.221286
ΔH_f, kcal/mol:	-208.01
Dipole, Da:	6.56
IP(EA), eV:	-9.36(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(diethylamino)ethyl]-4-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]benzamide

Drug info:

PubChemData

Smile

CCOC(=O)CCC(CC1=CC=C(C=C1)C2=CC=CC=C2)NC(=O)CCC(=O)O

DOS

IR

Vibrations