Geometry & MOs

Info

ID:	305893
PubChem CID:	124973409
Reduced:	OSN5C14H17 (1)
Stoich.:	ABC5D14E17 (1)
Weight, g/mol:	417.205242
ΔH_f, kcal/mol:	13.73
Dipole, Da:	2.76
IP(EA), eV:	-9.11(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC(=CC(=N1)NC2=NC=CS2)[C@@H]3CCN(C3)C(=O)C

DOS

IR

Vibrations