Geometry & MOs

Info

ID:	442849
PubChem CID:	135256616
Reduced:	N2O3C23H24 (1)
Stoich.:	A2B3C23D24 (1)
Weight, g/mol:	323.179776
ΔH_f, kcal/mol:	-63.18
Dipole, Da:	2.5
IP(EA), eV:	-9.51(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(3-fluoroazetidin-1-yl)ethyl]-3-methyl-6-(3-methylphenyl)pyrrolo[3,2-b]pyridine

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C3=C(C=NC(=C3)/C=C/C(=O)O)C#N)C(COC2(C)C)(C)C

DOS

IR

Vibrations