Geometry & MOs

Info

ID:	331604
PubChem CID:	127249613
Reduced:	O2N5C26H33 (1)
Stoich.:	A2B5C26D33 (1)
Weight, g/mol:	408.216141
ΔH_f, kcal/mol:	-30.09
Dipole, Da:	4.58
IP(EA), eV:	-8.02(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N(C)CCC(=O)N2CCC(C2)C3=NC(=C4CC(=O)N(C4=N3)CC5CC5)C

DOS

IR

Vibrations