Geometry & MOs

Info

ID:	160771
PubChem CID:	57389735
Reduced:	O3N5C26H31 (1)
Stoich.:	A3B5C26D31 (1)
Weight, g/mol:	447.22704
ΔH_f, kcal/mol:	-71.03
Dipole, Da:	3.97
IP(EA), eV:	-8.46(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(N(C2=C1C(=NC=N2)OCC3CCN(C3)C(=O)CN4CCCC4=O)CC5=CC=CC=C5)C

DOS

IR

Vibrations