Geometry & MOs

Info

ID:	160728
PubChem CID:	57389572
Reduced:	ON6C17H18 (1)
Stoich.:	AB6C17D18 (1)
Weight, g/mol:	441.252861
ΔH_f, kcal/mol:	54.91
Dipole, Da:	7.15
IP(EA), eV:	-8.97(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)C(=O)N1CCC2=NC(=NC=C2C1)NC3=CC=CC(=C3)C#N

DOS

IR

Vibrations