Geometry & MOs

Info

ID:	181916
PubChem CID:	76813387
Reduced:	O2N10H14C25 (1)
Stoich.:	A2B10C14D25 (1)
Weight, g/mol:	173.084064
ΔH_f, kcal/mol:	259.21
Dipole, Da:	5.86
IP(EA), eV:	-9.25(-2.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-2-methylidene-4aH-quinolin-4-ol

Drug info:

PubChemData

Smile

[C-]#[N+]C1=CN=C(C=C1)NC(=O)C2=CC3=CC=CC=C3C(=NNC4=C(C=NN4C5=NC=CN=C5)[N+]#[C-])C2=O

DOS

IR

Vibrations