Geometry & MOs

Info

ID:	152053
PubChem CID:	56310904
Reduced:	ON2F3C20H23 (1)
Stoich.:	AB2C3D20E23 (1)
Weight, g/mol:	379.205991
ΔH_f, kcal/mol:	-146.23
Dipole, Da:	2.03
IP(EA), eV:	-8.66(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]methyl]-5-methyl-2-phenyl-1,3-oxazole

Drug info:

PubChemData

Smile

C1CN(CCN(C1)CC2=CC=CC=C2F)CC3=CC=C(C=C3)OC(F)F

DOS

IR

Vibrations