Geometry & MOs

Info

ID:	279249
PubChem CID:	103842286
Reduced:	BrClNOC13H17 (1)
Stoich.:	ABCDE13F17 (1)
Weight, g/mol:	269.152812
ΔH_f, kcal/mol:	-43.86
Dipole, Da:	4.26
IP(EA), eV:	-9.48(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dicyanophenyl)-2-propylpentanamide

Drug info:

PubChemData

Smile

CCC(C)(C)N(C)C(=O)C1=CC(=C(C=C1)Cl)Br

DOS

IR

Vibrations