Geometry & MOs

Info

ID:	356541
PubChem CID:	127291763
Reduced:	O2F3N4C18H27 (1)
Stoich.:	A2B3C4D18E27 (1)
Weight, g/mol:	381.205242
ΔH_f, kcal/mol:	-231.33
Dipole, Da:	3.72
IP(EA), eV:	-9.09(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(OC(=N1)CN2CCN(CC2)C(=O)C3CCCN(C3)CC(F)(F)F)C

DOS

IR

Vibrations