Geometry & MOs

Info

ID:	149383
PubChem CID:	53789055
Reduced:	N2O5C16H20 (1)
Stoich.:	A2B5C16D20 (1)
Weight, g/mol:	208.100048
ΔH_f, kcal/mol:	-197.76
Dipole, Da:	3.09
IP(EA), eV:	-9.59(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclohexa-2,4-dien-1-ylcinnoline

Drug info:

PubChemData

Smile

CCOC(=O)CN1CC[C@H](C1=O)NC(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations