Geometry & MOs

Info

ID:	252445
PubChem CID:	103111451
Reduced:	ClN3O3C12H16 (1)
Stoich.:	AB3C3D12E16 (1)
Weight, g/mol:	242.093439
ΔH_f, kcal/mol:	-51.7
Dipole, Da:	8.3
IP(EA), eV:	-9.21(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-chloropyrimidin-2-yl)amino]-N-ethyl-N-methylpropanamide

Drug info:

PubChemData

Smile

CCN(C)C(=O)C(C)NC1=C(C=CC(=C1)Cl)[N+](=O)[O-]

DOS

IR

Vibrations