Geometry & MOs

Info

ID:	361738
PubChem CID:	127304554
Reduced:	FO2N4C21H23 (1)
Stoich.:	AB2C4D21E23 (1)
Weight, g/mol:	387.134969
ΔH_f, kcal/mol:	-64.77
Dipole, Da:	3.34
IP(EA), eV:	-8.99(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7-chloro-3-methyl-1-benzofuran-2-yl)-[2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC(=NN1CC2CN(CCO2)C(=O)C3=C(N=C4C=C(C=CC4=C3)F)C)C

DOS

IR

Vibrations