Geometry & MOs

Info

ID:	159466
PubChem CID:	57280269
Reduced:	NS2O5C16H19 (1)
Stoich.:	AB2C5D16E19 (1)
Weight, g/mol:	338.126657
ΔH_f, kcal/mol:	-140.53
Dipole, Da:	10.22
IP(EA), eV:	-9.28(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(dimethylamino)methyl]-4-(5H-[1,3]dioxolo[4,5-g]quinolin-6-ylidene)-3-hydroxycyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CSC([C@@H]2C(=O)O)(C)C

DOS

IR

Vibrations