Geometry & MOs

Info

ID:	331750
PubChem CID:	127250034
Reduced:	FN4O4C23H25 (1)
Stoich.:	AB4C4D23E25 (1)
Weight, g/mol:	429.181919
ΔH_f, kcal/mol:	-167.67
Dipole, Da:	5.5
IP(EA), eV:	-9.14(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[6-[(3-chlorophenyl)methyl]pyridin-2-yl]morpholin-4-yl]-3-morpholin-4-ylpropan-1-one

Drug info:

PubChemData

Smile

C1COC(CN1C(=O)CCCN2C(=O)CNC2=O)C3=CC=CC(=N3)CC4=CC=CC=C4F

DOS

IR

Vibrations