Geometry & MOs

Info

ID:	366653
PubChem CID:	127320182
Reduced:	O2N5C19H25 (1)
Stoich.:	A2B5C19D25 (1)
Weight, g/mol:	386.152495
ΔH_f, kcal/mol:	-2.08
Dipole, Da:	4.95
IP(EA), eV:	-8.48(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-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

CC1=NC(=NO1)CN2CCN(CC2)CCC(=O)N3CCC4=CC=CC=C43

DOS

IR

Vibrations