Geometry & MOs

Info

ID:	352672
PubChem CID:	127283761
Reduced:	O2N5C20H25 (1)
Stoich.:	A2B5C20D25 (1)
Weight, g/mol:	399.172896
ΔH_f, kcal/mol:	-18.75
Dipole, Da:	3.76
IP(EA), eV:	-8.54(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-[[4-[(4,5-dimethyl-1,3-oxazol-2-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=CN2C(=NC(=CC2=O)CN3CCN(CC3)CC4=NC(=C(O4)C)C)C=C1

DOS

IR

Vibrations