Geometry & MOs

Info

ID:	361707
PubChem CID:	127304522
Reduced:	O3N4C19H30 (1)
Stoich.:	A3B4C19D30 (1)
Weight, g/mol:	351.215806
ΔH_f, kcal/mol:	-126.23
Dipole, Da:	2.7
IP(EA), eV:	-9.13(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-2-(oxolan-2-ylmethoxy)propan-1-one

Drug info:

PubChemData

Smile

CC1=CC(=NN1CC2CN(CCO2)C(=O)CNC(=O)CC3CCCC3)C

DOS

IR

Vibrations