Geometry & MOs

Info

ID:	331601
PubChem CID:	127249610
Reduced:	O3N6C24H28 (1)
Stoich.:	A3B6C24D28 (1)
Weight, g/mol:	446.206639
ΔH_f, kcal/mol:	-69.21
Dipole, Da:	3.51
IP(EA), eV:	-9.38(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-benzyl-4-methyl-2-[1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]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)CN4CCNC(=O)C4)CC5=CC=CC=C5

DOS

IR

Vibrations