Geometry & MOs

Info

ID:	175749
PubChem CID:	75943066
Reduced:	BrN3O3C17H20 (1)
Stoich.:	AB3C3D17E20 (1)
Weight, g/mol:	405.262757
ΔH_f, kcal/mol:	-96.5
Dipole, Da:	7.12
IP(EA), eV:	-8.98(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(2-methoxyethoxy)butanoylamino]-N-(3-pyrrolidin-1-ylphenyl)pentanamide

Drug info:

PubChemData

Smile

CC(=O)NC1=C(C=C(C=C1)Br)NC(=O)C2CC(=O)N(C2)CC3CC3

DOS

IR

Vibrations