Geometry & MOs

Info

ID:	155451
PubChem CID:	56365506
Reduced:	O3N4C27H30 (1)
Stoich.:	A3B4C27D30 (1)
Weight, g/mol:	461.1314
ΔH_f, kcal/mol:	-86.92
Dipole, Da:	8.62
IP(EA), eV:	-7.75(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2,5-dimethyl-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)pentan-2-yl]furan-3-carboxamide

Drug info:

PubChemData

Smile

CCCC(C(=O)NC1=CC(=CC=C1)N2CCCC2)NC(=O)C3=CC=C(NC3=O)C4=CC=CC=C4

DOS

IR

Vibrations