Geometry & MOs

Info

ID:	251445
PubChem CID:	103104009
Reduced:	BrClON2C11H14 (1)
Stoich.:	ABCD2E11F14 (1)
Weight, g/mol:	275.163377
ΔH_f, kcal/mol:	-33.83
Dipole, Da:	4.07
IP(EA), eV:	-8.99(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[3-(3-aminoprop-1-ynyl)phenoxy]ethyl-ethylamino]acetamide

Drug info:

PubChemData

Smile

CCN(CC1=C(C=C(C=C1)Br)Cl)CC(=O)N

DOS

IR

Vibrations