Geometry & MOs

Info

ID:	163444
PubChem CID:	57963406
Reduced:	NO3C16H29 (1)
Stoich.:	AB3C16D29 (1)
Weight, g/mol:	607.27458
ΔH_f, kcal/mol:	-193.81
Dipole, Da:	3.14
IP(EA), eV:	-9.64(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S,4S,6R)-2-benzyl-6-ethylpiperidin-4-yl]-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-morpholin-4-ylpyrimidin-2-amine

Drug info:

PubChemData

Smile

CCC[C@H]1CC(=O)C[C@H](N1C(=O)OC(C)(C)C)CCC

DOS

IR

Vibrations