Geometry & MOs

Info

ID:	308038
PubChem CID:	125312378
Reduced:	ClO9C26H45 (1)
Stoich.:	AB9C26D45 (1)
Weight, g/mol:	147.043262
ΔH_f, kcal/mol:	-482.48
Dipole, Da:	9.53
IP(EA), eV:	-10.37(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methylpyrrolo[2,3-d]pyrimidin-2-one

Drug info:

PubChemData

Smile

C[C@H]([C@H](C)O)[C@H]([C@H](C[C@H]1CO[C@H]([C@@H]([C@H]1O)O)C/C(=C/C(=O)OCCCCCCCCC(=O)O)/C)O)Cl

DOS

IR

Vibrations