Geometry & MOs

Info

ID:	433136
PubChem CID:	135173273
Reduced:	O4N5C20H23 (1)
Stoich.:	A4B5C20D23 (1)
Weight, g/mol:	433.21139
ΔH_f, kcal/mol:	-33.17
Dipole, Da:	6.22
IP(EA), eV:	-9.15(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[4-(6-methoxypyridin-3-yl)oxypiperidin-1-yl]-3-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]-(1H-pyrrol-2-yl)methanone

Drug info:

PubChemData

Smile

CN(C)C(=O)/N=C/C(=N\N)/COC1=COC(=CC1=O)CN2CC3=CC=CC=C3C2

DOS

IR

Vibrations