Geometry & MOs

Info

ID:	126063
PubChem CID:	50950177
Reduced:	O4N5C19H21 (1)
Stoich.:	A4B5C19D21 (1)
Weight, g/mol:	368.246378
ΔH_f, kcal/mol:	-107.56
Dipole, Da:	6.5
IP(EA), eV:	-9.41(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-1-(2-methyl-2-morpholin-4-ylpropyl)-4-naphthalen-2-ylpiperidin-3-ol

Drug info:

PubChemData

Smile

CC(C)CN1C2=C(C=C(C=N2)C(=O)O)N(C1=O)C(C)C(=O)NC3=CC=CC=N3

DOS

IR

Vibrations