Geometry & MOs

Info

ID:	263104
PubChem CID:	103339635
Reduced:	BrN2O2C13H17 (1)
Stoich.:	AB2C2D13E17 (1)
Weight, g/mol:	255.194677
ΔH_f, kcal/mol:	-46.68
Dipole, Da:	2.95
IP(EA), eV:	-8.79(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methoxyethyl)-2-piperazin-1-yl-N-prop-2-enylpropanamide

Drug info:

PubChemData

Smile

COCCN(CC=C)C(=O)C1=C(C=CC(=C1)Br)N

DOS

IR

Vibrations