Geometry & MOs

Info

ID:	232815
PubChem CID:	87577115
Reduced:	Cl2N2O3C21H22 (1)
Stoich.:	A2B2C3D21E22 (1)
Weight, g/mol:	350.162187
ΔH_f, kcal/mol:	-87.43
Dipole, Da:	6.25
IP(EA), eV:	-9.27(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-amino-4-chloro-7-[1-(5-ethyl-1,4-dimethylpyrazol-3-yl)ethyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]methanol

Drug info:

PubChemData

Smile

CC(=O)N1CCC(CC1)OC2=CC=C(C=C2)C(C=O)(C3=CC(=C(C=C3)Cl)Cl)N

DOS

IR

Vibrations