Geometry & MOs

Info

ID:	309840
PubChem CID:	126561929
Reduced:	BrN4O5C15H19 (1)
Stoich.:	AB4C5D15E19 (1)
Weight, g/mol:	273.122575
ΔH_f, kcal/mol:	-121.68
Dipole, Da:	3.32
IP(EA), eV:	-9.31(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-7-[(1R,4S)-4-hydroxycyclopent-2-en-1-yl]-2-methylpyrrolo[2,3-d]pyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

CC(=O)OCC(CCON=C1CN(C1)C2=NC=C(C=N2)Br)OC(=O)C

DOS

IR

Vibrations