Geometry & MOs

Info

ID:	156341
PubChem CID:	56370198
Reduced:	BrFO2N3C21H23 (1)
Stoich.:	ABC2D3E21F23 (1)
Weight, g/mol:	395.220892
ΔH_f, kcal/mol:	-104.25
Dipole, Da:	3.62
IP(EA), eV:	-7.99(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-5-methyl-N-[4-oxo-4-(3-pyrrolidin-1-ylanilino)butan-2-yl]benzamide

Drug info:

PubChemData

Smile

CC(CC(=O)NC1=CC(=CC=C1)N2CCCC2)NC(=O)C3=C(C=CC(=C3)F)Br

DOS

IR

Vibrations