Geometry & MOs

Info

ID:	191631
PubChem CID:	78170498
Reduced:	O2S2N3C8H11 (1)
Stoich.:	A2B2C3D8E11 (1)
Weight, g/mol:	266.105528
ΔH_f, kcal/mol:	-44.31
Dipole, Da:	2.18
IP(EA), eV:	-9.09(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-8,9,10,11b-tetrahydrocyclopenta[b][1,7]phenanthrolin-7-one

Drug info:

PubChemData

Smile

CN1C2C(=C(SN2)SC)C(=O)N(C1=O)C

DOS

IR

Vibrations