Geometry & MOs

Info

ID:	251317
PubChem CID:	103103014
Reduced:	ClO2N4C9H13 (1)
Stoich.:	AB2C4D9E13 (1)
Weight, g/mol:	242.082205
ΔH_f, kcal/mol:	-61.75
Dipole, Da:	1.77
IP(EA), eV:	-9.6(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-chloro-N-ethyl-4-(hydroxymethyl)anilino]acetamide

Drug info:

PubChemData

Smile

CCN(CC(=O)N)C1=C(C(=NC=N1)Cl)CO

DOS

IR

Vibrations