Geometry & MOs

Info

ID:	196976
PubChem CID:	78903788
Reduced:	SO2N3C16H23 (1)
Stoich.:	AB2C3D16E23 (1)
Weight, g/mol:	429.166411
ΔH_f, kcal/mol:	-25.54
Dipole, Da:	5.84
IP(EA), eV:	-8.48(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(1,3-oxazol-5-yl)phenyl]-[4-[[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-1-yl]methanone

Drug info:

PubChemData

Smile

CCCCOCCSC1=NN=C(N1C)C2=CC=CC=C2OC

DOS

IR

Vibrations