Geometry & MOs

Info

ID:	69873
PubChem CID:	47205664
Reduced:	ClN2O2C14H19 (1)
Stoich.:	AB2C2D14E19 (1)
Weight, g/mol:	326.06299
ΔH_f, kcal/mol:	-99.57
Dipole, Da:	3.24
IP(EA), eV:	-9.49(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[1-(2-bromophenyl)ethylamino]-2-oxoethyl]butanamide

Drug info:

PubChemData

Smile

CCCC(=O)NCC(=O)NC(C)C1=CC=CC=C1Cl

DOS

IR

Vibrations