Geometry & MOs

Info

ID:	393506
PubChem CID:	135020870
Reduced:	NO3C6H7 (2)
Stoich.:	AB3C6D7 (2)
Weight, g/mol:	340.14633
ΔH_f, kcal/mol:	-191.18
Dipole, Da:	1.88
IP(EA), eV:	-10.28(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-xanthen-9-ylidene-6,7,8,9-tetrahydrobenzo[7]annulen-6-ol

Drug info:

PubChemData

Smile

C#CCOC1[C@@H](O[C@@H](C1O)CO)N2C=CC(=O)NC2=O

DOS

IR

Vibrations