Geometry & MOs

Info

ID:	188428
PubChem CID:	77716344
Reduced:	BrO3N4H37C38 (1)
Stoich.:	AB3C4D37E38 (1)
Weight, g/mol:	408.157288
ΔH_f, kcal/mol:	-26.74
Dipole, Da:	4.14
IP(EA), eV:	-9.0(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(hydroxymethyl)-3,4,5-triphenoxyoxan-2-ol

Drug info:

PubChemData

Smile

CC(=C1C2=C(C=CC(=C2)Br)NC1=O)C3CN4CCC5=CC=CC=C5C4C(C3CC6C7=CC=CC=C7CCN6)C8=CC=C(N8)C(=O)O

DOS

IR

Vibrations