Geometry & MOs

Info

ID:	419849
PubChem CID:	135109374
Reduced:	N2O3C16H24 (1)
Stoich.:	A2B3C16D24 (1)
Weight, g/mol:	443.268511
ΔH_f, kcal/mol:	-119.84
Dipole, Da:	3.56
IP(EA), eV:	-9.64(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[[1-[(4-phenylphenyl)methyl]piperidin-4-yl]amino]pyrimidin-4-yl]piperidin-3-ol

Drug info:

PubChemData

Smile

CCN(CC1=CN=CC=C1)C(=O)[C@@H]2CC[C@@H]([C@@H](C2)OC)O

DOS

IR

Vibrations