Geometry & MOs

Info

ID:	434055
PubChem CID:	135174209
Reduced:	BrClO3N4C26H30 (1)
Stoich.:	ABC3D4E26F30 (1)
Weight, g/mol:	425.24269
ΔH_f, kcal/mol:	-45.91
Dipole, Da:	3.22
IP(EA), eV:	-9.13(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-N-[3-(2-methylpropoxy)-5-[(pyrrolidin-3-ylmethylamino)methyl]phenyl]pyridine-3,5-dicarboxamide

Drug info:

PubChemData

Smile

CC(=O)/C=C(/COC1=C(C=C(C=C1)/C=C/C2=C(C=C(C=C2)Cl)Br)C(=O)NCCNCC3CNC3)\N

DOS

IR

Vibrations