Geometry & MOs

Info

ID:	327643
PubChem CID:	126690596
Reduced:	ON6C21H22 (1)
Stoich.:	AB6C21D22 (1)
Weight, g/mol:	350.185509
ΔH_f, kcal/mol:	69.81
Dipole, Da:	5.12
IP(EA), eV:	-9.13(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[1-amino-3-(pyrrolidin-1-ylmethyl)pyrrolo[2,3-b]pyridin-5-yl]pyridin-2-yl]acetamide

Drug info:

PubChemData

Smile

CC1=NC=CC(=N1)NC2=NC=CC(=C2)C3=CC(=CN=C3)C(=O)N(C)CCC=C

DOS

IR

Vibrations