Geometry & MOs

Info

ID:	332998
PubChem CID:	127251422
Reduced:	O2F3N4H21C23 (1)
Stoich.:	A2B3C4D21E23 (1)
Weight, g/mol:	358.144806
ΔH_f, kcal/mol:	-150.53
Dipole, Da:	5.5
IP(EA), eV:	-9.6(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-[(3-chlorophenyl)methyl]-6-methylpyridin-2-yl]morpholin-4-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)C2CN(CCO2)C(=O)C3=NC=CN=C3)CC4=CC(=CC=C4)C(F)(F)F

DOS

IR

Vibrations