Geometry & MOs

Info

ID:	443967
PubChem CID:	135260840
Reduced:	O2N7C32H35 (1)
Stoich.:	A2B7C32D35 (1)
Weight, g/mol:	394.200491
ΔH_f, kcal/mol:	90.14
Dipole, Da:	6.61
IP(EA), eV:	-8.24(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-[4-[(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]-N-(oxan-4-yl)propanamide

Drug info:

PubChemData

Smile

CCN1/C(=C/2\C=NC3=NC=CC(=C23)OC4=CC=C(C=C4)CC(C(=O)N5CCN(CC5)CC6=CC=CC=C6)N)/C=CN1

DOS

IR

Vibrations