Geometry & MOs

Info

ID:	289442
PubChem CID:	104353989
Reduced:	BrN2O4C14H19 (1)
Stoich.:	AB2C4D14E19 (1)
Weight, g/mol:	340.07864
ΔH_f, kcal/mol:	-146.57
Dipole, Da:	4.75
IP(EA), eV:	-8.72(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[1-(5-bromo-2-hydroxyphenyl)ethyl]piperidin-4-yl]acetamide

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1)CN2CCC(C2)NC(=O)OC)Br)O

DOS

IR

Vibrations