Geometry & MOs

Info

ID:	331605
PubChem CID:	127249614
Reduced:	O3N4C23H28 (1)
Stoich.:	A3B4C23D28 (1)
Weight, g/mol:	436.247441
ΔH_f, kcal/mol:	-86.99
Dipole, Da:	3.23
IP(EA), eV:	-9.3(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-7-(3-phenylpropyl)-2-[1-(2-propan-2-yloxyacetyl)pyrrolidin-3-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one

Drug info:

PubChemData

Smile

CC1=C2CC(=O)N(C2=NC(=N1)C3CCN(C3)C(=O)COC(C)C)CC4=CC=CC=C4

DOS

IR

Vibrations