Geometry & MOs

Info

ID:	230247
PubChem CID:	87570515
Reduced:	BrO2F3N6C27H30 (1)
Stoich.:	AB2C3D6E27F30 (1)
Weight, g/mol:	526.157218
ΔH_f, kcal/mol:	-130.95
Dipole, Da:	4.07
IP(EA), eV:	-9.04(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dichloro-N-[3-[4-[(2-methoxyacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C2=CC(=C(C=C2)Br)C(F)(F)F)C3=CN=CN=C3)C(C=O)N4CCC(CC4)N5CCCC5CO

DOS

IR

Vibrations