Geometry & MOs

Info

ID:	172486
PubChem CID:	75514963
Reduced:	SN4C15H18 (1)
Stoich.:	AB4C15D18 (1)
Weight, g/mol:	358.200491
ΔH_f, kcal/mol:	74.41
Dipole, Da:	4.47
IP(EA), eV:	-8.59(-0.48)
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-(oxolan-2-yl)morpholine

Drug info:

PubChemData

Smile

CC1=CN2C(=NC=C2CN(C)CC3=NC(=CS3)C)C=C1

DOS

IR

Vibrations