Geometry & MOs

Info

ID:	448964
PubChem CID:	135294854
Reduced:	O4N5C24H25 (1)
Stoich.:	A4B5C24D25 (1)
Weight, g/mol:	444.216141
ΔH_f, kcal/mol:	-75.41
Dipole, Da:	6.82
IP(EA), eV:	-8.04(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(oxan-4-ylmethyl)pyrrolo[3,2-b]pyridin-3-yl]phenyl]acetamide

Drug info:

PubChemData

Smile

C/C(=C(\C1=CC2=C(C(=CN2C(C3=CC=CC=C3)C(O)(O)O)C4=CN(N=C4)C)N=C1)/C(=O)C)/N

DOS

IR

Vibrations