Geometry & MOs

Info

ID:	160818
PubChem CID:	57389889
Reduced:	ON6C19H20 (1)
Stoich.:	AB6C19D20 (1)
Weight, g/mol:	364.226312
ΔH_f, kcal/mol:	72.33
Dipole, Da:	3.19
IP(EA), eV:	-8.88(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-benzyl-5,6-dimethyl-4-(2-piperidin-1-ylethoxy)pyrrolo[2,3-d]pyrimidine

Drug info:

PubChemData

Smile

CN(C1CC1)C(=O)N2CCC3=NC(=NC=C3C2)NC4=CC=CC(=C4)C#N

DOS

IR

Vibrations