Geometry & MOs

Info

ID:	332069
PubChem CID:	127250355
Reduced:	FON4C22H25 (1)
Stoich.:	ABC4D22E25 (1)
Weight, g/mol:	396.171689
ΔH_f, kcal/mol:	-4.47
Dipole, Da:	3.55
IP(EA), eV:	-8.62(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C=C(C(=N1)C)CN2CCOC(C2)C3=NC=C(C=C3)C4=CC=CC=C4F

DOS

IR

Vibrations