Geometry & MOs

Info

ID:	425883
PubChem CID:	135129250
Reduced:	OSN8C18H20 (1)
Stoich.:	ABC8D18E20 (1)
Weight, g/mol:	412.17715
ΔH_f, kcal/mol:	100.29
Dipole, Da:	10.1
IP(EA), eV:	-8.35(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2-fluoroethyl)pyrazol-4-yl]-5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-amine

Drug info:

PubChemData

Smile

CC1=NSC(=C1)NC2=NC3=C(C(=N2)N[C@@H]4CCOC4)N(C=C3)C5=CN(N=C5)C

DOS

IR

Vibrations