Geometry & MOs

Info

ID:	69890
PubChem CID:	47205696
Reduced:	BrN2O2C12H15 (1)
Stoich.:	AB2C2D12E15 (1)
Weight, g/mol:	282.113506
ΔH_f, kcal/mol:	-80.7
Dipole, Da:	5.86
IP(EA), eV:	-8.9(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl]butanamide

Drug info:

PubChemData

Smile

CCCC(=O)NCC(=O)NC1=CC=C(C=C1)Br

DOS

IR

Vibrations