Geometry & MOs

Info

ID:	145492
PubChem CID:	53535362
Reduced:	ClO2N3H12C17 (1)
Stoich.:	AB2C3D12E17 (1)
Weight, g/mol:	287.090606
ΔH_f, kcal/mol:	-15.71
Dipole, Da:	8.76
IP(EA), eV:	-9.24(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[3-[(1-oxidopyridin-1-ium-2-carbonyl)amino]phenyl]carbamate

Drug info:

PubChemData

Smile

C1C(C2=CC=CC=C2NC1=O)C(=O)NC3=CC(=C(C=C3)Cl)C#N

DOS

IR

Vibrations