Geometry & MOs

Info

ID:	305781
PubChem CID:	124968896
Reduced:	O3N5C14H17 (1)
Stoich.:	A3B5C14D17 (1)
Weight, g/mol:	396.171689
ΔH_f, kcal/mol:	-60.78
Dipole, Da:	12.58
IP(EA), eV:	-9.5(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[6-[(2-chlorophenyl)methyl]pyridin-2-yl]-4-[(1,3-dimethylpyrazol-4-yl)methyl]morpholine

Drug info:

PubChemData

Smile

CC1=CC(=O)N=C(N1)[C@H]2CN(CCO2)C(=O)C3=NC=CN3C

DOS

IR

Vibrations