Geometry & MOs

Info

ID:	160790
PubChem CID:	57389789
Reduced:	N7H17C18 (1)
Stoich.:	A7B17C18 (1)
Weight, g/mol:	347.149458
ΔH_f, kcal/mol:	126.42
Dipole, Da:	5.65
IP(EA), eV:	-8.99(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-methoxypyridin-3-yl)methyl]-5-(7H-pyrrolo[2,3-d]pyrimidin-5-ylmethyl)pyrimidin-2-amine

Drug info:

PubChemData

Smile

CC1=C(C=CN=C1)CNC2=NC=C(C=N2)CC3=CNC4=NC=NC=C34

DOS

IR

Vibrations