Geometry & MOs

Info

ID:	448985
PubChem CID:	135294985
Reduced:	O2N5H27C32 (1)
Stoich.:	A2B5C27D32 (1)
Weight, g/mol:	410.174276
ΔH_f, kcal/mol:	120.47
Dipole, Da:	7.4
IP(EA), eV:	-8.42(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)C2=CC3=C(C(=CN3[C@H](C4=CC=CC=C4)C5=CC=CC=N5)C6=CC=C(C=C6)C(=N)OC)N=C2

DOS

IR

Vibrations