Geometry & MOs

Info

ID:	416623
PubChem CID:	135089845
Reduced:	N3O4C22H25 (1)
Stoich.:	A3B4C22D25 (1)
Weight, g/mol:	310.179361
ΔH_f, kcal/mol:	-111.65
Dipole, Da:	2.9
IP(EA), eV:	-9.63(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[1-(6-methylpyridin-2-yl)ethylamino]pyridin-3-yl]-pyrrolidin-1-ylmethanone

Drug info:

PubChemData

Smile

C1COCCN1C(=O)C2=CC=C(C=C2)C(=O)N[C@H]3COC[C@H]3CC4=CC=NC=C4

DOS

IR

Vibrations