Geometry & MOs

Info

ID:	290286
PubChem CID:	104426414
Reduced:	ClN3O3C13H18 (1)
Stoich.:	AB3C3D13E18 (1)
Weight, g/mol:	227.109233
ΔH_f, kcal/mol:	-59.61
Dipole, Da:	6.08
IP(EA), eV:	-9.14(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methylpropyl)-3-(1,3-thiazol-2-ylamino)propanamide

Drug info:

PubChemData

Smile

CC(C)CNC(=O)CCNC1=C(C=CC=C1Cl)[N+](=O)[O-]

DOS

IR

Vibrations