Geometry & MOs

Info

ID:	332031
PubChem CID:	127250317
Reduced:	ClON4C21H23 (1)
Stoich.:	ABC4D21E23 (1)
Weight, g/mol:	350.185509
ΔH_f, kcal/mol:	44.85
Dipole, Da:	2.86
IP(EA), eV:	-8.69(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(5-pyrimidin-5-ylpyridin-2-yl)morpholine

Drug info:

PubChemData

Smile

CC1=C(C=NN1C)CN2CCOC(C2)C3=NC=C(C=C3)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations