Geometry & MOs

Info

ID:	397465
PubChem CID:	135030250
Reduced:	ON3H23C24 (1)
Stoich.:	AB3C23D24 (1)
Weight, g/mol:	325.034354
ΔH_f, kcal/mol:	85.08
Dipole, Da:	8.48
IP(EA), eV:	-8.9(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-thiophen-2-yl-9-(thiophen-2-ylmethyl)-4-oxa-3,8,11-triazatricyclo[6.3.0.02,6]undeca-1(11),2,5,9-tetraene

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)CC2=CN=C3N2CC4=C(ON=C43)C5=CC(=CC(=C5)C)C)C

DOS

IR

Vibrations