Geometry & MOs

Info

ID:	331990
PubChem CID:	127250276
Reduced:	ON4C21H22 (1)
Stoich.:	AB4C21D22 (1)
Weight, g/mol:	334.179361
ΔH_f, kcal/mol:	55.44
Dipole, Da:	2.33
IP(EA), eV:	-8.9(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-phenylethyl)-2-[5-(1H-pyrazol-5-yl)pyridin-2-yl]morpholine

Drug info:

PubChemData

Smile

C1COC(CN1CCC2=CC=CC=C2)C3=NC=C(C=C3)C4=CN=CN=C4

DOS

IR

Vibrations