Geometry & MOs

Info

ID:	232857
PubChem CID:	87577257
Reduced:	Cl2N2O3H14C15 (1)
Stoich.:	A2B2C3D14E15 (1)
Weight, g/mol:	378.076265
ΔH_f, kcal/mol:	-37.22
Dipole, Da:	4.92
IP(EA), eV:	-9.07(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-amino-4-chloro-7-[(4-chloro-1-methylpyrrolo[2,3-b]pyridin-5-yl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]methanol

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)O)N(Cl)Cl)C(=O)C(CC2=CC=C(C=C2)O)N

DOS

IR

Vibrations