Geometry & MOs

Info

ID:	336198
PubChem CID:	127255205
Reduced:	NOC5H5 (4)
Stoich.:	ABC5D5 (4)
Weight, g/mol:	306.089895
ΔH_f, kcal/mol:	-97.08
Dipole, Da:	2.75
IP(EA), eV:	-9.26(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

12-(dimethylamino)-7-methoxy-2-thia-4,6,9,13,15-pentazatricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-10-ol

Drug info:

PubChemData

Smile

C1C(CN(C1=O)CC2=CC=CO2)C(=O)NCCN3C=NC4=CC=CC=C4C3=O

DOS

IR

Vibrations