Geometry & MOs

Info

ID:	172320
PubChem CID:	75497024
Reduced:	NSO3C18H23 (1)
Stoich.:	ABC3D18E23 (1)
Weight, g/mol:	382.211724
ΔH_f, kcal/mol:	-86.81
Dipole, Da:	2.65
IP(EA), eV:	-8.88(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)methyl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)C2(CCN(CC2)CC3=CC=CS3)O)OC

DOS

IR

Vibrations