Geometry & MOs

Info

ID:	177506
PubChem CID:	76195304
Reduced:	BrClN2O4C21H24 (1)
Stoich.:	ABC2D4E21F24 (1)
Weight, g/mol:	317.210327
ΔH_f, kcal/mol:	-95.54
Dipole, Da:	4.86
IP(EA), eV:	-8.45(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-N'-(heptan-2-ylideneamino)butanediamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=C(C=C1)OCC(=O)NN=CC2=CC(=C(C=C2Cl)OC)OC)Br

DOS

IR

Vibrations