Geometry & MOs

Info

ID:	271008
PubChem CID:	103640172
Reduced:	BrON3C14H24 (1)
Stoich.:	ABC3D14E24 (1)
Weight, g/mol:	273.184112
ΔH_f, kcal/mol:	-41.29
Dipole, Da:	1.05
IP(EA), eV:	-8.68(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[butan-2-yl(methyl)amino]ethyl]-2-(4-cyanophenyl)acetamide

Drug info:

PubChemData

Smile

CCC(C)N(C)CCNC(=O)C1=CC(=CN1CC)Br

DOS

IR

Vibrations