Geometry & MOs

Info

ID:	323231
PubChem CID:	126673720
Reduced:	O7C40H40 (1)
Stoich.:	A7B40C40 (1)
Weight, g/mol:	253.085127
ΔH_f, kcal/mol:	-226.5
Dipole, Da:	3.98
IP(EA), eV:	-8.13(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z)-3-(2H-pyran-2-ylhydrazinylidene)quinolin-2-one

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2C3=C(C=CC4=C3C=CC(=C4)OCC(=O)OC(C)(C)C)OC5=C2C6=C(C=C5)C=C(C=C6)OCC(=O)OC(C)(C)C

DOS

IR

Vibrations