Geometry & MOs

Info

ID:	332090
PubChem CID:	127250376
Reduced:	ON2C11H13 (2)
Stoich.:	AB2C11D13 (2)
Weight, g/mol:	382.156039
ΔH_f, kcal/mol:	9.79
Dipole, Da:	3.44
IP(EA), eV:	-8.75(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-(3-chlorophenyl)pyridin-2-yl]-4-[(1-ethylpyrazol-4-yl)methyl]morpholine

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)CN2CCOC(C2)C3=NC=C(C=C3)C4=CC(=CC=C4)OC

DOS

IR

Vibrations