Geometry & MOs

Info

ID:	160745
PubChem CID:	57389651
Reduced:	O4N6C13H22 (1)
Stoich.:	A4B6C13D22 (1)
Weight, g/mol:	413.221561
ΔH_f, kcal/mol:	-145.5
Dipole, Da:	5.55
IP(EA), eV:	-9.16(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-benzyl-5,6-dimethyl-4-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]oxypyrrolo[2,3-d]pyrimidine

Drug info:

PubChemData

Smile

CN1C=NC2=C1C(=O)N(C(=O)N2C)C.C(C[C@@H](C(=O)O)N)CN

DOS

IR

Vibrations