Geometry & MOs

Info

ID:	305831
PubChem CID:	124971193
Reduced:	N3O3C24H25 (1)
Stoich.:	A3B3C24D25 (1)
Weight, g/mol:	403.189592
ΔH_f, kcal/mol:	-44.47
Dipole, Da:	0.68
IP(EA), eV:	-8.84(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S)-2-[6-[(3-methoxyphenyl)methyl]pyridin-2-yl]morpholin-4-yl]-2-pyridin-2-ylethanone

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CC2=NC(=CC=C2)[C@H]3CN(CCO3)C(=O)CC4=CC=CC=N4

DOS

IR

Vibrations