Geometry & MOs

Info

ID:	42999
PubChem CID:	10317667
Reduced:	ON2C25H36 (1)
Stoich.:	AB2C25D36 (1)
Weight, g/mol:	380.115237
ΔH_f, kcal/mol:	-64.27
Dipole, Da:	3.3
IP(EA), eV:	-8.28(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-(5-chloro-3-pyrimidin-5-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)pyridin-2-yl]oxy-N-methylethanamine

Drug info:

PubChemData

Smile

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2NC4=CC=CC=C4)CC[C@@H]5[C@@]3(CCC(=O)N5C)C

DOS

IR

Vibrations