Geometry & MOs

Info

ID:	442554
PubChem CID:	135252949
Reduced:	NCl2O2H11C14 (1)
Stoich.:	AB2C2D11E14 (1)
Weight, g/mol:	415.200825
ΔH_f, kcal/mol:	-66.46
Dipole, Da:	3.01
IP(EA), eV:	-9.02(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(2-oxo-2-pyridin-4-ylethyl)anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC(=O)C2=C(C=C(C=C2)Cl)O)Cl

DOS

IR

Vibrations