Geometry & MOs

Info

ID:	361739
PubChem CID:	127304555
Reduced:	ClN3O3C20H22 (1)
Stoich.:	AB3C3D20E22 (1)
Weight, g/mol:	381.205242
ΔH_f, kcal/mol:	-63.35
Dipole, Da:	6.0
IP(EA), eV:	-8.89(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6,7-dimethyl-1-benzofuran-3-yl)-1-[2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CC(=NN1CC2CN(CCO2)C(=O)C3=C(C4=C(O3)C(=CC=C4)Cl)C)C

DOS

IR

Vibrations