Geometry & MOs

Info

ID:	344165
PubChem CID:	127267341
Reduced:	O2N4C19H20 (1)
Stoich.:	A2B4C19D20 (1)
Weight, g/mol:	301.03136
ΔH_f, kcal/mol:	21.45
Dipole, Da:	1.91
IP(EA), eV:	-9.35(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromo-3-hydroxyphenyl)-N-(4-hydroxybutyl)acetamide

Drug info:

PubChemData

Smile

C1CC1C2=NC=C(O2)C(=O)NCC3=NC=CN3CCC4=CC=CC=C4

DOS

IR

Vibrations