Geometry & MOs

Info

ID:	333697
PubChem CID:	127252249
Reduced:	O3N6C23H28 (1)
Stoich.:	A3B6C23D28 (1)
Weight, g/mol:	359.163377
ΔH_f, kcal/mol:	-31.23
Dipole, Da:	4.82
IP(EA), eV:	-8.74(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(6-benzylpyridin-2-yl)morpholin-4-yl]-pyridin-3-ylmethanone

Drug info:

PubChemData

Smile

CC1=NN2C(=CC=NC2=C1CN3CCC(CC3)O)C4CN(CCO4)C(=O)C5=CN=CC=C5

DOS

IR

Vibrations