Geometry & MOs

Info

ID:	230258
PubChem CID:	87570534
Reduced:	ClO4N5C21H30 (1)
Stoich.:	AB4C5D21E30 (1)
Weight, g/mol:	559.272546
ΔH_f, kcal/mol:	-148.94
Dipole, Da:	2.86
IP(EA), eV:	-9.41(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-N-[3-[4-[(4-fluorophenyl)carbamoyl-[[(2R)-oxolan-2-yl]methyl]amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C1(CCC(CC1)OC2=NC(=NC3=C2C=NN3C4CCCCO4)Cl)OC(=O)N

DOS

IR

Vibrations