Geometry & MOs

Info

ID:	440962
PubChem CID:	135232469
Reduced:	SN3O8C41H52 (1)
Stoich.:	AB3C8D41E52 (1)
Weight, g/mol:	261.172879
ΔH_f, kcal/mol:	-308.03
Dipole, Da:	3.63
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.273852
Charge, e:	0

Chem-info

IUPAC name:

6-methoxy-2,2,4-trimethyl-1-propylquinolin-7-ol

Drug info:

PubChemData

Smile

CCCCN1C2=C(C=C3C=C4C(CC[N+]5=C4C(C6=C5C=CC(=C6)C)(C)CCCCCC(=O)ON7C(=O)CCC7=O)OC3=C2)C(CC1(C)C)CS(=O)(=O)O

DOS

IR

Vibrations