Geometry & MOs

Info

ID:	444270
PubChem CID:	135261928
Reduced:	BrN2O4C21H29 (1)
Stoich.:	AB2C4D21E29 (1)
Weight, g/mol:	362.184172
ΔH_f, kcal/mol:	-172.27
Dipole, Da:	2.13
IP(EA), eV:	-8.45(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,6-dioxopiperidin-3-yl)-N-ethyl-4-(5-hydroxypentoxy)benzamide

Drug info:

PubChemData

Smile

CCOC(=O)/C=C(/CBr)\C1=CC=C(C=C1)N2CCN(CC2)C(=O)OC(C)(C)C

DOS

IR

Vibrations