Geometry & MOs

Info

ID:	313619
PubChem CID:	126616707
Reduced:	Cl2O2N3H31C35 (1)
Stoich.:	A2B2C3D31E35 (1)
Weight, g/mol:	341.164046
ΔH_f, kcal/mol:	48.33
Dipole, Da:	2.56
IP(EA), eV:	-8.96(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[2-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyridin-4-yl]-1,3-dihydroinden-2-yl]methanamine

Drug info:

PubChemData

Smile

COC(=O)C1=CC=CC(=C1)CN2CC(C2)N3C4=C(C=CC(=C4)C(C5=CC=C(C=C5)Cl)C6=CC=C(C=C6)Cl)N=C3C7CC7

DOS

IR

Vibrations