Geometry & MOs

Info

ID:	306343
PubChem CID:	125003855
Reduced:	O3N5C15H19 (1)
Stoich.:	A3B5C15D19 (1)
Weight, g/mol:	502.271069
ΔH_f, kcal/mol:	-52.51
Dipole, Da:	4.18
IP(EA), eV:	-8.68(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3R)-3-[(4-chloro-3-methylphenoxy)methyl]-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]-1-morpholin-4-ylethanone

Drug info:

PubChemData

Smile

CC1=C(N=CO1)C(=O)N(C)C[C@@]2(CCN(C2)C3=NC=CN=C3)O

DOS

IR

Vibrations