Geometry & MOs

Info

ID:	313368
PubChem CID:	126614133
Reduced:	NC14H31 (1)
Stoich.:	AB14C31 (1)
Weight, g/mol:	398.09938
ΔH_f, kcal/mol:	-66.76
Dipole, Da:	1.86
IP(EA), eV:	-9.12(3.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-(2-methylbut-3-yn-2-yl)-2-(N-propylanilino)benzamide

Drug info:

PubChemData

Smile

CCC(C)(CCC(C)(CC)N)C(C)(C)C

DOS

IR

Vibrations