Geometry & MOs

Info

ID:	227629
PubChem CID:	87562127
Reduced:	BrN2O4C20H23 (1)
Stoich.:	AB2C4D20E23 (1)
Weight, g/mol:	201.006695
ΔH_f, kcal/mol:	-124.51
Dipole, Da:	2.24
IP(EA), eV:	-9.2(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

N-(6-chloro-2-methyl-1-oxidopyridin-1-ium-3-yl)carbamate

Drug info:

PubChemData

Smile

CC(C)COC(=O)N1CCC(CC1)OC2=C3C(=CC(=C2)Br)C=CC(=N3)C=O

DOS

IR

Vibrations