Geometry & MOs

Info

ID:	352382
PubChem CID:	127283469
Reduced:	N3O3C23H27 (1)
Stoich.:	A3B3C23D27 (1)
Weight, g/mol:	381.205242
ΔH_f, kcal/mol:	-70.84
Dipole, Da:	3.03
IP(EA), eV:	-8.87(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(OC(=N1)CN2CCN(CC2)C(=O)CC3=COC4=C3C=C5CCCC5=C4)C

DOS

IR

Vibrations