Geometry & MOs

Info

ID:	18378
PubChem CID:	540042
Reduced:	ClO2N4H9C10 (1)
Stoich.:	AB2C4D9E10 (1)
Weight, g/mol:	252.041403
ΔH_f, kcal/mol:	-16.65
Dipole, Da:	3.93
IP(EA), eV:	-9.18(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-acetyl-N-(4-chloro-3H-pyrrolo[2,3-d]pyrimidin-2-yl)acetamide

Drug info:

PubChemData

Smile

CC(=O)N(C1=NC2=NC=CC2=C(N1)Cl)C(=O)C

DOS

IR

Vibrations