Geometry & MOs

Info

ID:	360680
PubChem CID:	127301325
Reduced:	ON7C21H31 (1)
Stoich.:	AB7C21D31 (1)
Weight, g/mol:	381.216475
ΔH_f, kcal/mol:	41.41
Dipole, Da:	3.03
IP(EA), eV:	-8.9(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-morpholin-4-yl-2-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CCC1CCCCN1C(=O)CN2CCN(CC2)CC3=NN=NN3C4=CC=CC=C4

DOS

IR

Vibrations