Geometry & MOs

Info

ID:	332029
PubChem CID:	127250315
Reduced:	FO2N4C22H23 (1)
Stoich.:	AB2C4D22E23 (1)
Weight, g/mol:	378.205576
ΔH_f, kcal/mol:	-42.49
Dipole, Da:	2.87
IP(EA), eV:	-9.45(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1,5-dimethylpyrazol-4-yl)methyl]-2-[5-(3-methoxyphenyl)pyridin-2-yl]morpholine

Drug info:

PubChemData

Smile

CC1=CC=NN1CCC(=O)N2CCOC(C2)C3=NC=C(C=C3)C4=CC=CC=C4F

DOS

IR

Vibrations