Geometry & MOs

Info

ID:	361721
PubChem CID:	127304536
Reduced:	O4N5C20H23 (1)
Stoich.:	A4B5C20D23 (1)
Weight, g/mol:	321.205242
ΔH_f, kcal/mol:	-118.15
Dipole, Da:	6.89
IP(EA), eV:	-8.87(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=NN1CC2CN(CCO2)C(=O)CN3C(=O)C4=CC=CC=C4NC3=O)C

DOS

IR

Vibrations