Geometry & MOs

Info

ID:	426105
PubChem CID:	135138021
Reduced:	O2N4C21H24 (1)
Stoich.:	A2B4C21D24 (1)
Weight, g/mol:	375.194677
ΔH_f, kcal/mol:	3.75
Dipole, Da:	7.48
IP(EA), eV:	-8.66(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]piperidin-3-yl]-1-methylpyrrolo[3,2-b]pyridine

Drug info:

PubChemData

Smile

CN1C2=C(C=C1C3CCCN(C3)CC4=CC5=C(C=N4)OCCO5)N=CC=C2

DOS

IR

Vibrations