Geometry & MOs

Info

ID:	279388
PubChem CID:	103843632
Reduced:	BrON2C12H15 (1)
Stoich.:	ABC2D12E15 (1)
Weight, g/mol:	304.074533
ΔH_f, kcal/mol:	-2.42
Dipole, Da:	4.03
IP(EA), eV:	-9.3(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6-dichloro-N-[2-ethyl-2-(hydroxymethyl)butyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Br)NC(=O)CNC2CC2

DOS

IR

Vibrations