Geometry & MOs

Info

ID:	155983
PubChem CID:	56368595
Reduced:	F2N2O4C21H24 (1)
Stoich.:	A2B2C4D21E24 (1)
Weight, g/mol:	393.02435
ΔH_f, kcal/mol:	-236.5
Dipole, Da:	2.61
IP(EA), eV:	-9.84(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-chloro-N-[(2-pyrrolidin-1-ylphenyl)methyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)NCC(C1=C(C=C(C=C1)F)F)O)NC(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations