Geometry & MOs

Info

ID:	363167
PubChem CID:	127310202
Reduced:	N2O2C9H10 (2)
Stoich.:	A2B2C9D10 (2)
Weight, g/mol:	367.189592
ΔH_f, kcal/mol:	-94.65
Dipole, Da:	5.05
IP(EA), eV:	-9.1(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CN(N=C1)CC2CN(CCO2)C(=O)C3=CC4=C(C=C3)OCC(=O)N4

DOS

IR

Vibrations