Geometry & MOs

Info

ID:	332247
PubChem CID:	127250533
Reduced:	FON4C22H25 (1)
Stoich.:	ABC4D22E25 (1)
Weight, g/mol:	392.221226
ΔH_f, kcal/mol:	-4.61
Dipole, Da:	2.75
IP(EA), eV:	-8.65(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-[6-(4-methoxyphenyl)pyridin-2-yl]morpholine

Drug info:

PubChemData

Smile

CCN1C=C(C(=N1)C)CN2CCOC(C2)C3=CC=CC(=N3)C4=CC(=CC=C4)F

DOS

IR

Vibrations