Geometry & MOs

Info

ID:	156045
PubChem CID:	56368891
Reduced:	BrON3C16H26 (1)
Stoich.:	ABC3D16E26 (1)
Weight, g/mol:	422.114568
ΔH_f, kcal/mol:	-44.77
Dipole, Da:	2.49
IP(EA), eV:	-8.64(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-4-imidazol-1-ylphenyl)-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide

Drug info:

PubChemData

Smile

CCN1C=C(C=C1C(=O)NCC2CCCN(C2)C(C)C)Br

DOS

IR

Vibrations