Geometry & MOs

Info

ID:	367931
PubChem CID:	127326105
Reduced:	O2N3C21H31 (1)
Stoich.:	A2B3C21D31 (1)
Weight, g/mol:	399.141676
ΔH_f, kcal/mol:	-94.74
Dipole, Da:	2.34
IP(EA), eV:	-9.15(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-[[4-(4-fluorophenoxy)piperidin-1-yl]methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one

Drug info:

PubChemData

Smile

CC1CC(CN1CC(=O)NC(C)C(=O)N2CCCCC2)C3=CC=CC=C3

DOS

IR

Vibrations