Geometry & MOs

Info

ID:	43216
PubChem CID:	10319719
Reduced:	NO3C11H14 (2)
Stoich.:	AB3C11D14 (2)
Weight, g/mol:	416.207307
ΔH_f, kcal/mol:	-220.28
Dipole, Da:	0.87
IP(EA), eV:	-8.21(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-imidazol-1-yl-6-morpholin-4-yl-1,3,5-triazin-2-yl)-4-phenylpiperidine-4-carbonitrile

Drug info:

PubChemData

Smile

CN1CC(=C[C@H]2[C@H]1CC3=CNC4=CC=CC2=C34)CO[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)O)O)O

DOS

IR

Vibrations