Geometry & MOs

Info

ID:	244472
PubChem CID:	99355656
Reduced:	BrN4O4C19H29 (1)
Stoich.:	AB4C4D19E29 (1)
Weight, g/mol:	357.95422
ΔH_f, kcal/mol:	-186.98
Dipole, Da:	3.39
IP(EA), eV:	-9.14(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-chloro-N-[(5-ethylthiophen-2-yl)methyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CCN1C=C(C=C1C(=O)NCCCC(=O)NC2CCN(CC2)C(=O)OCC)Br

DOS

IR

Vibrations