Geometry & MOs

Info

ID:	230407
PubChem CID:	87570810
Reduced:	O2N5C11H13 (1)
Stoich.:	A2B5C11D13 (1)
Weight, g/mol:	550.318688
ΔH_f, kcal/mol:	0.48
Dipole, Da:	4.04
IP(EA), eV:	-9.18(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-2,4-dimethyl-N-[3-[4-[[(1R)-1-phenyl-2-[1-(1H-pyrrol-2-yl)ethylamino]ethyl]amino]piperidin-1-yl]butyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=CN2C=C(C=CC2=N1)/C(=N/N)/N

DOS

IR

Vibrations