Geometry & MOs

Info

ID:	160772
PubChem CID:	57389736
Reduced:	O3N5C25H29 (1)
Stoich.:	A3B5C25D29 (1)
Weight, g/mol:	475.25834
ΔH_f, kcal/mol:	-69.09
Dipole, Da:	3.88
IP(EA), eV:	-8.39(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[2-[(7-benzyl-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-yl)oxymethyl]piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC1=C(N(C2=C1C(=NC=N2)OC3CCN(C3)C(=O)CN4CCCC4=O)CC5=CC=CC=C5)C

DOS

IR

Vibrations