Geometry & MOs

Info

ID:	69476
PubChem CID:	47190769
Reduced:	ClON2S2C13H15 (1)
Stoich.:	ABC2D2E13F15 (1)
Weight, g/mol:	310.054277
ΔH_f, kcal/mol:	-10.68
Dipole, Da:	2.95
IP(EA), eV:	-9.43(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-chlorothiophen-2-yl)methyl]-6-propan-2-yloxypyridine-3-carboxamide

Drug info:

PubChemData

Smile

CCCC1=NC(=C(S1)C(=O)NCC2=CC=C(S2)Cl)C

DOS

IR

Vibrations