Geometry & MOs

Info

ID:	305467
PubChem CID:	124955699
Reduced:	ON5C15H19 (1)
Stoich.:	AB5C15D19 (1)
Weight, g/mol:	382.180504
ΔH_f, kcal/mol:	31.45
Dipole, Da:	2.07
IP(EA), eV:	-8.88(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3R)-1-(2-fluorobenzoyl)-3-methylpiperidin-3-yl]-4,7-dimethyl-5H-pyrrolo[2,3-d]pyrimidin-6-one

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)[C@@H]2CN(CCO2)CC3=NC=CN=C3)N

DOS

IR

Vibrations